2-Hydroxy-2- (3-methylphenyl) acetic acid

CAT: 0127-OR1006279Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1006279Size:1 g

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CAS Number

65148-70-1

Purity

95%

Smiles

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

Chemical Information

2-Hydroxy-2-(3-methylphenyl)acetic acid

CAS Number	65148-70-1
PubChem CID	277664
IUPAC Name	2-hydroxy-2-(3-methylphenyl)acetic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1
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=CC(=CC=C1)C(C(=O)O)O

InChI

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

InChIKey

ASTGXUHKUFFOQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65148-70-1

CID: 277664

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1
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	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR1058122-01	2- (2-Chloro-3-methylphenyl) acetic acid
OR1034985-01	2- (3-Bromo-2-methylphenyl) acetic acid
OR1042261-01	2- (3-Methoxy-2-methylphenyl) acetic acid
OR1051537	2- (3-Iodo-2-methylphenyl) acetic acid
OR1069684-01	2- (2-Bromo-3-methylphenyl) acetic acid
OR947378	2- (2-Methoxy-3-methylphenyl) acetic acid
OR1065658-01	(3-Hydroxy-2-methylphenyl) boronic acid
OR1002020-01	2-Hydroxy-2- (3-nitrophenyl) acetic acid
OR1038481	2-Hydroxy-2- (3-hydroxy-4-methoxyphenyl) acetic acid

Catalog	Name
DEA26283-01	2- (3-Hydroxy-4-methylphenyl) acetic acid
FH67484-01	2- (4-Hydroxy-3-methylphenyl) acetic acid
EBA33653-01	2- (4-Hydroxy-2-methylphenyl) acetic acid
IBA79736-01	2- (3-Methoxy-2-methylphenyl) acetic Acid
FJC01306-01	2-Fluoro-2- (3-methylphenyl) acetic acid
LAC61803-01	2- (3-bromo-2-methylphenyl) acetic acid
LKB76265-01	2- (2-Fluoro-3-methylphenyl) acetic acid
UMB99794-01	2-Cyclohexyl-2- (3-methylphenyl) acetic acid
AQB51849-01	2- (2-Chloro-3-methylphenyl) acetic acid
YJA92011	2- (2-bromo-3-methylphenyl) acetic acid