Pmc Isochem

CAS 22009-38-7

Chemistry, 1 End Use API, 14 Related Intermediates

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Also known as: 22009-38-7, 7-hydroxy-3,4-dihydronaphthalen-1(2h)-one, 7-hydroxy-3,4-dihydro-2h-naphthalen-1-one, 7-hydroxy-3,4-dihydro-1(2h)-naphthalenone, 1(2h)-naphthalenone, 3,4-dihydro-7-hydroxy-, Mfcd01312225

Molecular Formula

C₁₀H₁₀O₂

Molecular Weight

162.18 g/mol

InChI Key

LGFSAJZSDNYVCW-UHFFFAOYSA-N

1 2D Structure

CAS 22009-38-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-hydroxy-3,4-dihydro-2H-naphthalen-1-one

2.1.2 InChI

InChI=1S/C10H10O2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6,11H,1-3H2

2.1.3 InChI Key

LGFSAJZSDNYVCW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=C(C=C2)O)C(=O)C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 22009-38-7

2. 7-hydroxy-3,4-dihydronaphthalen-1(2h)-one

3. 7-hydroxy-3,4-dihydro-2h-naphthalen-1-one

4. 7-hydroxy-3,4-dihydro-1(2h)-naphthalenone

5. 1(2h)-naphthalenone, 3,4-dihydro-7-hydroxy-

6. Mfcd01312225

7. 7-hydroxytetralin-1-one

8. 7-hydroxytetralone

9. 7-hydroxy-tetralone

10. 7-hydroxy-1-tetralone (5)

11. Schembl385554

12. Dtxsid00341263

13. Bdbm166645

14. Amy14181

15. Bcp16590

16. Zinc24627693

17. Akos006229303

18. Cs-w022544

19. Mb01768

20. Ac-27437

21. As-10078

22. Sy045775

23. 3,4-dihydro-7-hydroxy-1(2h)-naphthalenone

24. Bb 0257319

25. Ft-0648907

26. H1650

27. 7-hydroxy-3,4-dihydro-1(2h)-naphthalenone #

28. En300-191143

29. A851740

30. 7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-one

31. Z1198156579

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀O₂
Molecular Weight	162.18 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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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CAS Number

50890-96-5

End Use API

Velpatasvir

About the Company

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.