Methyl β-hydroxy-3-methoxybenzenepropanoate

CAT: 0127-OR1098493-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1098493-01Size:250 mg

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CAS Number

72719-08-5

MDL Number

MFCD34875936

Purity

95%

Smiles

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

Chemical Information

Methyl 3-hydroxy-3-(3-methoxyphenyl)propanoate

CAS Number	72719-08-5
PubChem CID	523520
IUPAC Name	methyl 3-hydroxy-3-(3-methoxyphenyl)propanoate
Molecular Formula	C11H14O4
Molecular Weight	210.23
XLogP	0.9
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	205

SMILES

COC1=CC=CC(=C1)C(CC(=O)OC)O

InChI

InChI=1S/C11H14O4/c1-14-9-5-3-4-8(6-9)10(12)7-11(13)15-2/h3-6,10,12H,7H2,1-2H3

InChIKey

FNBHACUOQNHQRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72719-08-5

CID: 523520

Formula: C11H14O4

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	210.08920892
Monoisotopic Mass	210.08920892
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205
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
OR1081469-01	Methyl β-hydroxy-2-methoxybenzenepropanoate
OR1095099-01	1,1-Dimethylethyl β-hydroxy-3-methoxybenzenepropanoate
OR1085017-01	1,1-Dimethylethyl β-hydroxy-4-methoxybenzenepropanoate
OR1096490-01	Methyl β-hydroxy-3-methylbenzenepropanoate
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
OR949332-01	Trans-Methyl 3-hydroxy-1-methyl-cyclobutanecarboxylate
OR904800-01	Methyl 3-hydroxy-5-methyl-2-thiophenecarboxylate

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