2-Phenoxybutanoic acid

CAT: 0024-sc-308561Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-308561Size:500 mg

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CAS Number

13794-14-4

Chemical Information

2-Phenoxybutanoic acid

CAS Number	13794-14-4
PubChem CID	57987
IUPAC Name	2-phenoxybutanoic acid
Molecular Formula	C10H12O3
Molecular Weight	180.20
XLogP	2.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

CCC(C(=O)O)OC1=CC=CC=C1

InChI

InChI=1S/C10H12O3/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)

InChIKey

TVSPPYGAFOVROT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13794-14-4

CID: 57987

Formula: C10H12O3

MW: 180.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.20
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	180.078644241
Monoisotopic Mass	180.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
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
OR1051816-01	2-Phenoxybutanoic acid
XAA72042-01	2-Methyl-4-phenoxybutanoic acid
415139-01	2-Amino-4-phenoxybutanoic Acid
NAA79402-01	3-Methyl-2-phenoxybutanoic acid
CCA16182-01	(2S) -2-Amino-4-phenoxybutanoic acid
GGD24233-01	(2R) -2-Amino-4-phenoxybutanoic acid hydrochloride
PCA68285-01	3-Hydroxy-3-methyl-2-phenoxybutanoic acid
WXC77468-01	(2S) -2-{[ (9H-Fluoren-9-ylmethoxy) carbonyl]amino}-4-phenoxybutanoic acid
MKD06553-01	(2R) -2- ({[ (9H-Fluoren-9-yl) methoxy]carbonyl}amino) -4-phenoxybutanoic acid
OR80894-01	(S) -2- ((((9H-Fluoren-9-yl) methoxy) carbonyl) amino) -4-phenoxybutanoic acid