4-Hydroxy-2-methylphenylacetic acid

CAT: 0127-OR52226Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

29336-53-6

Synonyms

4- (Carboxymethyl) -3-methylphenol

MDL Number

MFCD11045605

Purity

=95%

Smiles

Cc1cc(O)ccc1CC(=O)O

Chemical Information

2-(4-Hydroxy-2-methylphenyl)acetic acid

CAS Number	29336-53-6
PubChem CID	13979358
IUPAC Name	2-(4-hydroxy-2-methylphenyl)acetic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

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

InChI

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

InChIKey

BSVPTEVWQDKITI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29336-53-6

CID: 13979358

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
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
Compound Is Canonicalized	Yes

Catalog	Name
OR933292-01	4-Hydroxy-3-methylphenylacetic acid
OR4365	4-Methylphenylacetic acid
PC302112-01	4-Fluoro-2-methylphenylacetic acid
OR400247	2-Methoxy-4-methylphenylacetic acid
OR922010-01	4-Methoxy-2-methylphenylacetic acid
PC5939-01	2-Fluoro-4-methylphenylacetic acid
OR3986-01	2-Methylphenylacetic acid
PC0261	2,3-Difluoro-4-methylphenylacetic acid
PC303305-01	2,4-Difluoro-5-methylphenylacetic acid
OR951001-01	4-Chloro-alpha-methylphenylacetic acid

Catalog	Name
sc-471499	4-Hydroxy-3-methylphenylacetic acid
233213-01	4-Hydroxy-3-methylphenylacetic acid 98+% (GC)
JH721590	4-Methylphenylacetic acid
sc-274836	2-Fluoro-4-methylphenylacetic acid
sc-472003	4-Methoxy-2-methylphenylacetic acid
sc-277387	4-Fluoro-2-methylphenylacetic acid
LKA76347	2,3-Difluoro-4-methylphenylacetic acid
AQB52092	4-Fluoro-3-methylphenylacetic acid
263825-01	4-Bromo-3-methylphenylacetic acid
sc-284288	4-Methoxy-3-methylphenylacetic acid