A-Cyclopentylmandelic Acid

CAT: 0459-057855Size: 5 gDry Ice: NoHazardous: No

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CAT#:0459-057855Size:5 g

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CAS Number

427-49-6

Chemical Information

alpha-Cyclopentylmandelic acid

CAS Number	427-49-6
PubChem CID	98283
IUPAC Name	2-cyclopentyl-2-hydroxy-2-phenylacetic acid
Molecular Formula	C13H16O3
Molecular Weight	220.26
XLogP	2.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	252

SMILES

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

InChI

InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)

InChIKey

WFLUEQCOAQCQLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 427-49-6

CID: 98283

Formula: C13H16O3

MW: 220.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.26
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	220.109944368
Monoisotopic Mass	220.109944368
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	252
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
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
110945	Heptanoic Acid for Synthesis 98.0% (Ethanthic acid, Oenanthic Acid)
259745-01	N-Valeric Acid (Pentanoic Acid, 1-Butane-Carboxylic Acid)
006825-01	P-Amino Butyric Acid (γ -amino butyric acid.GABA , piperidinic acid
085885-01	2-Ethyl Hexanoic Acid for Synthesis (Ethyl Caproic Acid, Octoic Acid)
029413-01	N- Caprylic Acid (N-Octanoic Acid)
166335-01	Nalidixic Acid free Acid 99.0%
027284-01	Barbituric Acid
959600	Maleic Acid
113415-01	Humic Acid

Catalog	Name
GTR19251918-01	α-cyclopentylmandelic acid
267511-01	Cyclopentylmandelic acid
235030-01	A-Cyclopentylmandelic acid 99+%
TRC-C644710-100MG	(R)-alpha-Cyclopentylmandelic Acid
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid