2- (Cyclopentyloxy) benzoic acid

CAT: 0926-YFA21577-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-YFA21577-01Size:0.5 g

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CAS Number

148215-77-4

MDL Number

MFCD09727764

Smiles

C1CCC (C1) OC2=CC=CC=C2C (=O) O

Molecular Formula

C12H14O3

Molecular Weight

206.24 g/mol

Controlled

Chemical Information

2-(Cyclopentyloxy)benzoic acid

CAS Number	148215-77-4
PubChem CID	14955530
IUPAC Name	2-cyclopentyloxybenzoic acid
Molecular Formula	C12H14O3
Molecular Weight	206.24
XLogP	2.9
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

C1CCC(C1)OC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H14O3/c13-12(14)10-7-3-4-8-11(10)15-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,13,14)

InChIKey

RNMYGQSMHXPHFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148215-77-4

CID: 14955530

Formula: C12H14O3

MW: 206.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.24
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IGA86099-01	3- (Cyclopentyloxy) benzoic acid
FBA76202-01	4- (Cyclopentyloxy) -benzoic acid
VDA83260-01	2- (Cyclopentyloxy) acetic acid
LCC15902-01	2- (Cyclopentyloxy) phenylboronic acid
HWB98227-01	2- (Cyclopentyloxy) butanoic acid
EJB67320-01	2- (Cyclopentyloxy) propanoic acid
SBC69031-01	2- (Cyclopentyloxy) -4-methoxybenzoic acid
EWB27543-01	2- (Cyclopentyloxy) -4-propoxybenzoic acid
VKC73814-01	2-[2- (Cyclopentyloxy) phenyl]acetic acid
PBA77376-01	2- (Cyclopentyloxy) -2-phenylacetic acid, sodium salt

Catalog	Name
sc-348301	4- (cyclopentyloxy) benzoic acid
OR77012-01	3- (Cyclopentyloxy) benzoic acid
OR451195	4- (Cyclopentyloxy) -benzoic acid
OR1085081-01	3-Chloro-4- (cyclopentyloxy) benzoic acid
OR1096422-01	5-Chloro-2- (cyclopentyloxy) benzoic acid
CS-O-44300	4-[Bis- (5-cyclopentyloxy carbonyl amino-1-methyl indol-3-yl) -methyl]-3-methoxy-benzoic acid
161143	4-[[5-[[ (Cyclopentyloxy) carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-benzoic Acid Methyl Ester
CS-O-44293	4-[Bis- (5-cyclopentyloxy carbonyl amino-1-methyl indol-3-yl) -methyl]-3-methoxy-benzoic acid methyl ester
TRC-C988560-100MG	4-[[5-[[(Cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-benzoic Acid Methyl Ester
sc-340223A	2- (cyclopentyloxy) nicotinic acid