Methyl 2-hydroxy-2- (3-methylphenyl) acetate

CAT: 0926-CDA06284-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-CDA06284-01Size:100 mg

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CAS Number

77062-84-1

MDL Number

MFCD16693811

Smiles

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

Molecular Formula

C10H12O3

Molecular Weight

180.2 g/mol

Controlled

Chemical Information

Methyl 2-hydroxy-2-(3-methylphenyl)acetate

CAS Number	77062-84-1
PubChem CID	12717603
IUPAC Name	methyl 2-hydroxy-2-(3-methylphenyl)acetate
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	1.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

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

InChI

InChI=1S/C10H12O3/c1-7-4-3-5-8(6-7)9(11)10(12)13-2/h3-6,9,11H,1-2H3

InChIKey

FMSDRGSMDPMNLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77062-84-1

CID: 12717603

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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
HZA70764-01	Ethyl 2- (4-hydroxy-3-methylphenyl) acetate
TAA58423-01	Ethyl 2-hydroxy-2- (4-methylphenyl) acetate
PZC14709	Methyl 2-hydroxy-2- (3-iodophenyl) acetate
ECA84540-01	Methyl 2-hydroxy-2- (3-methoxyphenyl) acetate
DEA32426-01	Methyl 2- (2-hydroxy-3-methoxyphenyl) acetate
QDA72146-01	Methyl 2-hydroxy-2- (3-hydroxyphenyl) acetate
KKB68193-01	Methyl 2- (4-bromo-3-methylphenyl) acetate
GTB79810-01	Methyl 2-hydroxy-2- (4-hydroxy-3-nitrophenyl) acetate
LAC45329-01	Methyl 2- (3-bromo-4-methylphenyl) acetate
CDA05354-01	Methyl 2-bromo-2- (2-methylphenyl) acetate

Catalog	Name
OR932836-01	Methyl 2- (4-hydroxy-3-methylphenyl) acetate
OR1047910-01	Methyl 2- (2-bromo-3-methylphenyl) acetate
OR32518-01	Methyl 2-[ (3-methylphenyl) formamido]acetate
sc-351842	Methyl 2-[ (2-methylphenyl) amino]acetate
OR89359-01	Methyl 2- (2-hydroxy-3-nitrophenyl) acetate
OR1036457-01	Methyl 2-hydroxy-2- (3-hydroxy-4-methoxyphenyl) acetate
OR85199-01	Methyl 2- (4-bromo-3-methylphenyl) acetate
OR1053224-01	Methyl 2- (4-chloro-3-methylphenyl) acetate
PC905558-01	Methyl 2- (3-fluoro-4-methylphenyl) acetate
OR1037999-01	Methyl 2- (5-amino-2-methylphenyl) acetate