CAS 2305-37-5

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Also known as: 2305-37-5, 5-amino-3-methylbenzoic acid, 3-amino-5-methyl-benzoic acid, Benzoic acid, 3-amino-5-methyl-, Benzoic acid, 3-amino-5-methyl- (9ci), 5-amino-m-toluic acid

Molecular Formula

C₈H₉NO₂

Molecular Weight

151.16 g/mol

InChI Key

CWBYBPGSAFKSEJ-UHFFFAOYSA-N

1 2D Structure

CAS 2305-37-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-amino-5-methylbenzoic acid

2.1.2 InChI

InChI=1S/C8H9NO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,9H2,1H3,(H,10,11)

2.1.3 InChI Key

CWBYBPGSAFKSEJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1)N)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2305-37-5

2. 5-amino-3-methylbenzoic Acid

3. 3-amino-5-methyl-benzoic Acid

4. Benzoic Acid, 3-amino-5-methyl-

5. Benzoic Acid, 3-amino-5-methyl- (9ci)

6. 5-amino-m-toluic Acid

7. Schembl7424594

8. 3-azanyl-5-methyl-benzoic Acid

9. Dtxsid00593447

10. Bcp24568

11. Caa30537

12. Mfcd00211069

13. Zinc14985983

14. Akos012322759

15. Ab04836

16. As-19920

17. 3-amino-5-methyl-benzoic Acid, Aldrichcpr

18. Cs-0153254

19. Ft-0703493

20. A20152

21. A816531

22. A857377

23. F8883-2497

24. Z2050688304

2.3 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO₂
Molecular Weight	151.16 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.063328530 g/mol
Monoisotopic Mass	151.063328530 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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