Methyl α-Cyclopentylmandelate

CAT: 0024-sc-218808Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-218808Size:250 mg

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CAS Number

19833-96-6

Chemical Information

Methyl cyclopentylmandelate

CAS Number	19833-96-6
PubChem CID	89233
IUPAC Name	methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Molecular Formula	C14H18O3
Molecular Weight	234.29
XLogP	2.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	265

SMILES

COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3

InChIKey

FGMUSNHTKNGVQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19833-96-6

CID: 89233

Formula: C14H18O3

MW: 234.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.29
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	234.125594432
Monoisotopic Mass	234.125594432
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	265
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
sc-212229	N-Methyl-3-pyrrolidinyl Cyclopentylmandelate (mixture of diastereomers)
sc-483471	Methyl Acrylamidoglycolate Methyl Ester
sc-484429	Methyl p-methyl-α-chlorophenylacetate
sc-358332	Methyl 4-[ (methylthio) methyl]benzoate
sc-346587	[ (3-bromophenyl) methyl] (methyl) amine
sc-218724	Methyl β-Neuraminic Acid, Methyl Ester
sc-353948A	Methyl 4-aminophenyl (methyl) carbamate
sc-353927	Methyl 4-[ (chlorosulfonyl) methyl]benzoate
sc-250341	Methyl 2-methyl-3-nitrobenzoate
sc-353927A	Methyl 4-[ (chlorosulfonyl) methyl]benzoate

Catalog	Name
TRC-M294650-250MG	Methyl a-Cyclopentylmandelate
016685	Methyl α-Cyclopentylmandelate
TRC-M294650-1G	Methyl alpha-Cyclopentylmandelate
TRC-M326040-100MG	N-Methyl-3-pyrrolidinyl Cyclopentylmandelate (mixture of diastereomers)
AR-L05996-01	Methyl ?-methyl-4-[ (2-oxocyclopentyl) methyl]benzeneacetate
TRC-M294845-2.5G	Methyl Decanoate(Methyl Caprate)
OR1092028	Methyl 4-methyl-α-oxobenzeneacetate
OR26323	Methyl (methylthio) methyl sulphone
CDA40203-01	Methyl acrylamidoglycolate methyl ester
1013001	METHYL TRIFLUOROMETHANESULFONATE (METHYL TRIFLATE )