60758-86-3 manufacturers and suppliers on PharmaCompass

60758-86-3

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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Jai Radhe Sales is your partner for all your sourcing needs.

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xyz-pharma-m-2024-10-07

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Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

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Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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xyz-pharma-m-2024-10-07

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CHEMISTRY

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 31 Related Intermediates

3 Suppliers
3 End Use APIs
31 Related Intermediates

Chemistry

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Also known as: 60758-86-3, Benzonitrile, 3-ethoxy-4-methoxy-, Mfcd02256160, 3-ethoxy-4-methoxy-benzonitrile, Schembl1964286, Dtxsid80398073

Molecular Formula

C₁₀H₁₁NO₂

Molecular Weight

177.20 g/mol

InChI Key

XTIINWPNAMHVDG-UHFFFAOYSA-N

60758-86-3

1 2D Structure

60758-86-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-ethoxy-4-methoxybenzonitrile

2.1.2 InChI

InChI=1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3

2.1.3 InChI Key

XTIINWPNAMHVDG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=C(C=CC(=C1)C#N)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 60758-86-3

2. Benzonitrile, 3-ethoxy-4-methoxy-

3. Mfcd02256160

4. 3-ethoxy-4-methoxy-benzonitrile

5. Schembl1964286

6. Dtxsid80398073

7. Xtiinwpnamhvdg-uhfffaoysa-n

8. Amy38605

9. Bcp09392

10. Cs-m3350

11. Stl255220

12. Akos000304576

13. Ds-7497

14. Sy056573

15. E1109

16. Ft-0745794

2.3 Create Date

2005-09-12

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁NO₂
Molecular Weight	177.20 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42.2
Heavy Atom Count	13
Formal Charge	0
Complexity	196
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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