4-Methylphenylacetic acid

CAT: 0127-OR4365Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR4365Size:1 Each

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CAS Number

622-47-9

Synonyms

4- (Carboxymethyl) toluene, p-Tolylacetic acid

MDL Number

MFCD00004353

Purity

99%

Smiles

Cc1ccc(CC(=O)O)cc1

Chemical Information

p-Tolylacetic acid

CAS Number	622-47-9
PubChem CID	248474
IUPAC Name	2-(4-methylphenyl)acetic acid
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	1.9
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

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

InChI

InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

GXXXUZIRGXYDFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 622-47-9

CID: 248474

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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
OR951001-01	4-Chloro-alpha-methylphenylacetic acid
PC302116-01	4-Fluoro-3-methylphenylacetic acid
OR933292-01	4-Hydroxy-3-methylphenylacetic acid
PC302112-01	4-Fluoro-2-methylphenylacetic acid
OR922010-01	4-Methoxy-2-methylphenylacetic acid
OR18023-01	4-Amino-3-methylphenylacetic acid
OR52226	4-Hydroxy-2-methylphenylacetic acid
OR322002-01	4-Methoxy-3-methylphenylacetic acid
OR4364-01	3-Methylphenylacetic acid
OR3986-01	2-Methylphenylacetic acid

Catalog	Name
JH721590	4-Methylphenylacetic acid
AQB52092	4-Fluoro-3-methylphenylacetic acid
263825-01	4-Bromo-3-methylphenylacetic acid
sc-274836	2-Fluoro-4-methylphenylacetic acid
sc-472003	4-Methoxy-2-methylphenylacetic acid
sc-284288	4-Methoxy-3-methylphenylacetic acid
FI24528-01	(S) - (+) -4-Isobutyl-a-methylphenylacetic acid
sc-471499	4-Hydroxy-3-methylphenylacetic acid
TRC-M221008-1G	3-Methoxy-4-methylphenylacetic Acid
sc-234805	DL-4-Chloro-α-methylphenylacetic acid