CAS 73401-74-8

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Also known as: 73401-74-8, 2-(4-(hydroxymethyl)phenyl)acetic acid, 2-[4-(hydroxymethyl)phenyl]acetic acid, 4-(hydroxymethyl)phenylaceticacid, 4-hydroxymethylphenylacetic acid, Mfcd00065692

Molecular Formula

C₉H₁₀O₃

Molecular Weight

166.17 g/mol

InChI Key

FWZBPBKAANKOJQ-UHFFFAOYSA-N

1 2D Structure

CAS 73401-74-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-(hydroxymethyl)phenyl]acetic acid

2.1.2 InChI

InChI=1S/C9H10O3/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4,10H,5-6H2,(H,11,12)

2.1.3 InChI Key

FWZBPBKAANKOJQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CC(=O)O)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 73401-74-8

2. 2-(4-(hydroxymethyl)phenyl)acetic Acid

3. 2-[4-(hydroxymethyl)phenyl]acetic Acid

4. 4-(hydroxymethyl)phenylaceticacid

5. 4-hydroxymethylphenylacetic Acid

6. Mfcd00065692

7. [4-(hydroxymethyl)phenyl]acetic Acid

8. Benzeneacetic Acid, 4-(hydroxymethyl)-

9. Benzeneacetic Acid,4-(hydroxymethyl)-

10. Schembl110198

11. 4-hydro-xymethylphenylacetic Acid

12. Dtxsid20391028

13. (4-hydroxymethylphenyl)acetic Acid

14. Act08019

15. Amy14295

16. Zinc2539238

17. (4-hydroxymethyl-phenyl)-acetic Acid

18. Akos015894328

19. 2-(4-(hydroxymethyl)phenyl)aceticacid

20. Cs-w004128

21. Ps-5338

22. 2-[4-(hydroxymethyl)phenyl]ethanoic Acid

23. 4-(hydroxymethyl)phenylacetic Acid, 98%

24. Sy046320

25. Db-055759

26. Ft-0641458

27. H1473

28. H10579

29. 401h748

30. A837821

31. F0001-1856

2.3 Create Date

2005-09-06

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₃
Molecular Weight	166.17 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	166.062994177 g/mol
Monoisotopic Mass	166.062994177 g/mol
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
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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