Methyl β-hydroxy-3-methylbenzenepropanoate

CAT: 0127-OR1096490-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1096490-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1172591-46-6

MDL Number

MFCD34875942

Purity

95%

Smiles

C (CC (=O) OC) (O) c1cc (C) ccc1

Chemical Information

Methyl beta-hydroxy-3-methylbenZenepropanoate

CAS Number	1172591-46-6
PubChem CID	44221785
IUPAC Name	methyl 3-hydroxy-3-(3-methylphenyl)propanoate
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	1.3
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	191

SMILES

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

InChI

InChI=1S/C11H14O3/c1-8-4-3-5-9(6-8)10(12)7-11(13)14-2/h3-6,10,12H,7H2,1-2H3

InChIKey

XBCOIFQBMKRZED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1172591-46-6

CID: 44221785

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	1.3
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	191
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
OR1101015-01	Methyl β-hydroxy-4-methylbenzenepropanoate
OR1086883-01	1,1-Dimethylethyl β-hydroxy-3-methylbenzenepropanoate
OR1085427-01	1,1-Dimethylethyl β-hydroxy-4-methylbenzenepropanoate
OR1098493-01	Methyl β-hydroxy-3-methoxybenzenepropanoate
OR1087315-01	Methyl 3-hydroxy-3-phenylcyclopentanecarboxylate
OR1026954-01	Methyl 3-Hydroxy-3-Methylbutanoate
OR1096735-01	Methyl 3-hydroxy-3-propylhexanoate
OR1023689-01	Methyl2-Hydroxy-2-Methyl-3-Oxobutyrate
OR904800-01	Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate
OR949332-01	Trans-Methyl 3-hydroxy-1-methyl-cyclobutanecarboxylate

Catalog	Name
CS-O-06086	3-hydroxy methyl Cefuroxime
GAA14945	Methyl 3-hydroxy-3-methylbutanoate
426011-01	3-Hydroxy-α-methyl-tyrosine Methyl Ester
TRC-M780485-250MG	Methyl 3-(4-hydroxy-3-methyl-phenyl) Propanoate
TRC-H785010-10MG	3-Hydroxy-Alpha-methyl-tyrosine Methyl Ester
QAA96480	Methyl 4-hydroxy-3-methoxyphenylacetate
FM41915-01	Methyl 4-hydroxy-3-iodobenzoate
FM25464-01	Methyl 7b-hydroxy-3-ketocholanoate
283450-01	Methyl 3-hydroxy-4-methylbenzoate
455259-01	Methyl 3-hydroxy-4-nitrobenzoate