Ethyl 2-hydroxy-2- (4-methylphenyl) acetate

CAT: 0926-TAA58423-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA58423-01Size:100 mg

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CAS Number

18584-23-1

MDL Number

MFCD02313405

Smiles

CCOC (=O) C (C1=CC=C (C=C1) C) O

Molecular Formula

C11H14O3

Molecular Weight

194.23 g/mol

Controlled

Chemical Information

Benzeneacetic acid, alpha-hydroxy-4-methyl-, ethyl ester

CAS Number	18584-23-1
PubChem CID	12427099
IUPAC Name	ethyl 2-hydroxy-2-(4-methylphenyl)acetate
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	1.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	183

SMILES

CCOC(=O)C(C1=CC=C(C=C1)C)O

InChI

InChI=1S/C11H14O3/c1-3-14-11(13)10(12)9-6-4-8(2)5-7-9/h4-7,10,12H,3H2,1-2H3

InChIKey

YYHHYJRKGYOMKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18584-23-1

CID: 12427099

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183
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
FAA52456-01	Ethyl (4-methylphenyl) (oxo) acetate
KVB10424-01	Ethyl 2-{[ (4-methylphenyl) methyl]amino}acetate hydrochloride
CDA06284-01	Methyl 2-hydroxy-2- (3-methylphenyl) acetate
LAC86272	Ethyl 2- (3-bromo-2-methylphenyl) acetate
XKB83863-01	Ethyl 2-[4- (4-methylphenyl) -1,3-thiazol-2-yl]acetate
EBA57139-01	Ethyl 2- (4-hydroxy-2-mercaptopyrimidin-5-yl) acetate
CCA72792-01	4-Bromo-2-methylphenyl acetate
EBB66297-01	4-[2- (2-Methylphenyl) ethyl]piperidine
WIA54688-01	Ethyl 2-hydroxy-2- (oxolan-3-yl) acetate

Catalog	Name
OR33191	Ethyl 2-[ (4-methylphenyl) sulfanyl]acetate
OR32423-01	Ethyl 2-[ (4-methylphenyl) formamido]acetate
OR1092096-01	Ethyl 2-hydroxy-2- (4-methoxyphenyl) acetate
275116-01	Ethyl (2'-hydroxy-4'-benzyloxybenzoyl) acetate
E8606-76-01	Ethyl (2’-Hydroxy-4’-benzyloxybenzoyl) acetate
MBS6073459-01	Ethyl (2'-Hydroxy-4'-benzyloxybenzoyl)acetate
OR932836-01	Methyl 2- (4-hydroxy-3-methylphenyl) acetate
OR1031872-01	Ethyl 2- (3-bromo-4-methylphenyl) acetate
OR1081778-01	Ethyl 2- (4-chloro-3-methylphenyl) acetate
sc-326949	Ethyl [ (4-iodo-2-methylphenyl) amino]acetate