Methyl 3-hydroxy-3-phenylcyclopentanecarboxylate

CAT: 0127-OR1087315-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1087315-01Size:250 mg

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CAS Number

2120670-72-4

Purity

95%

Smiles

OC1 (c2ccccc2) CCC (C1) C (=O) OC

Chemical Information

Methyl 3-hydroxy-3-phenylcyclopentanecarboxylate

CAS Number	2120670-72-4
PubChem CID	177687961
IUPAC Name	methyl 3-hydroxy-3-phenylcyclopentane-1-carboxylate
Molecular Formula	C13H16O3
Molecular Weight	220.26
XLogP	1.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	258

SMILES

COC(=O)C1CCC(C1)(C2=CC=CC=C2)O

InChI

InChI=1S/C13H16O3/c1-16-12(14)10-7-8-13(15,9-10)11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3

InChIKey

DOHGWLHTDFYTMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2120670-72-4

CID: 177687961

Formula: C13H16O3

MW: 220.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.26
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	220.109944368
Monoisotopic Mass	220.109944368
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1025775-01	Ethyl 2-Oxo-3-Phenylcyclopentanecarboxylate
OR1092437-01	Ethyl 1-phenylcyclopentanecarboxylate
OR1026954-01	Methyl 3-Hydroxy-3-Methylbutanoate
OR1096735-01	Methyl 3-hydroxy-3-propylhexanoate
OR1098493-01	Methyl β-hydroxy-3-methoxybenzenepropanoate
OR1096490-01	Methyl β-hydroxy-3-methylbenzenepropanoate
OR1023689-01	Methyl2-Hydroxy-2-Methyl-3-Oxobutyrate
OR1098539-01	2- (diethylamino) ethyl 1-phenylcyclopentanecarboxylate
OR1084555-01	3- (hydroxy (3-methoxyphenyl) methyl) benzonitrile
OR81256-01	Methyl 2-hydroxy-3,3-dimethylbutanoate

Catalog	Name
GAA14945	Methyl 3-hydroxy-3-methylbutanoate
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TRC-H251185-5G	3-Hydroxy-3-methyl-2-butanone
AR-L06007-01	3-Hydroxy-3-Methyl Butyric Acid
426011-01	3-Hydroxy-α-methyl-tyrosine Methyl Ester
TRC-M780485-250MG	Methyl 3-(4-hydroxy-3-methyl-phenyl) Propanoate
DAA96753-01	Methyl 3-hydroxy-2-phenylpropanoate
KCA66594-01	Methyl 3-hydroxy-2-methylpentanoate
FM70021-01	Methyl 3-hydroxy-2-methylbenzoate
FM33217-01	Methyl 4-hydroxy-3-methoxycinnamate