CAS 14199-15-6 | Benzeneacetic acid, 4-hydroxy-, methyl ester | CAS Number 14199-15-6

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14199-15-6 | Benzeneacetic acid, 4-hydroxy-, methyl ester

CAS No: 14199-15-6 Catalog No: AG001HI2 MDL No:MFCD00002387

Product Description

Catalog Number:

AG001HI2

Chemical Name:

Benzeneacetic acid, 4-hydroxy-, methyl ester

CAS Number:

14199-15-6

Molecular Formula:

C9H10O3

Molecular Weight:

166.1739

MDL Number:

MFCD00002387

IUPAC Name:

methyl 2-(4-hydroxyphenyl)acetate

InChI:

InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3

InChI Key:

XGDZEDRBLVIUMX-UHFFFAOYSA-N

SMILES:

COC(=O)Cc1ccc(cc1)O

EC Number:

238-050-2

Properties

Complexity:

148

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.176g/mol

Monoisotopic Mass:

166.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Synthesis of the marine pyrroloiminoquinone alkaloids, discorhabdins.	Marine drugs 20100101
Approach to tetrodotoxin via the oxidative amidation of a phenol.	Organic letters 20091015
Chemical constituents of Antrodia camphorata submerged whole broth.	Natural product research 20080101
Isolation and characterization of antifungal substances from Burkholderia sp. culture broth.	Current microbiology 20061101
Solid phase synthesis of 3-(4-hydroxyphenyl)coumarin: preliminary experiments for combinatorial synthesis of substituted 3-phenylcoumarin derivatives.	Archives of pharmacal research 20040801