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CAS 42933-44-8
Also known as: 42933-44-8, 5-aminobenzofuran-2-carboxylic acid, 2-benzofurancarboxylic acid, 5-amino-, 2-benzofurancarboxylic acid,5-amino-, 5-aminobenzofuran-2-carboxylicacid, 2-benzofurancarboxylicacid, 5-amino-
Molecular Formula
C9H7NO3
Molecular Weight
177.16  g/mol
InChI Key
IIBKBXGCIDLMOP-UHFFFAOYSA-N

1 2D Structure

CAS 42933-44-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-1-benzofuran-2-carboxylic acid
2.1.2 InChI
InChI=1S/C9H7NO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,10H2,(H,11,12)
2.1.3 InChI Key
IIBKBXGCIDLMOP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1N)C=C(O2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 42933-44-8

2. 5-aminobenzofuran-2-carboxylic Acid

3. 2-benzofurancarboxylic Acid, 5-amino-

4. 2-benzofurancarboxylic Acid,5-amino-

5. 5-aminobenzofuran-2-carboxylicacid

6. 2-benzofurancarboxylicacid, 5-amino-

7. Schembl3487776

8. Dtxsid60624044

9. Amy21354

10. Bcp01669

11. Cs-m1933

12. Mfcd11505019

13. Zinc29753695

14. Akos005072745

15. Gc-0616

16. Ac-26399

17. Db-070370

18. Ft-0681069

19. Ab01002291-01

20. A851629

21. J-516732

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 177.16 g/mol
Molecular Formula C9H7NO3
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass177.042593085 g/mol
Monoisotopic Mass177.042593085 g/mol
Topological Polar Surface Area76.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Vilazodone
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.
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Vilazodone
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.
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Vilazodone
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality produ...
Established in 2003 by G. Chandra Mouliswar Reddy, Virupaksha strives to supply the highest quality products to its customers. In less than two decades, the Hyderabad-headquartered company has expanded from a single manufacturing unit to four units employing over 900 employees. Virupaksha’s four manufacturing units are located at Kazipally, Pashamylaram, Humnabad and Gandhi Nagar. Its manufacturing facility is FDA-approved. It now has a large customer base of over 300 customers and a presence in more than 100 countries.
Virupaksha

IPS 2024

Not Confirmed

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