(E) -4-Phenylbut-2-enoic acid

CAT: 0127-OR86741Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR86741Size:100 mg

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CAS Number

60341-39-1

Purity

98%

Smiles

C1=CC=C(C=C1)C/C=C/C(=O)O

Chemical Information

4-Phenyl-but-2-enoic acid

CAS Number	60341-39-1
PubChem CID	10749505
IUPAC Name	(E)-4-phenylbut-2-enoic acid
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	2.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

C1=CC=C(C=C1)C/C=C/C(=O)O

InChI

InChI=1S/C10H10O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-6,8H,7H2,(H,11,12)/b8-4+

InChIKey

SCBUQIQXUBOQAI-XBXARRHUSA-N

Chemical Structure

2D Structure

CAS: 60341-39-1

CID: 10749505

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1001522-01	4-Phenylbut-3-enoic acid
OR29067-01	3-Phenylbut-2-enoic acid
OR1046619-01	2-Oxo-4-phenylbut-3-enoic acid
OR28212-01	(3E) -2-Oxo-4-phenylbut-3-enoic acid monohydrate
OR1071867-01	(E) -4-Morpholinobut-2-enoic acid
OR1025296-01	(E) -4-Chlorobut-2-Enoic Acid
OR75898-01	(E) -4-Methoxybut-2-enoic acid
PC104963-01	(E) -4,4,4-Trifluorobut-2-Enoic Acid
OR12720	(3E) -2-{4-[ (tert-Butyl) oxycarbonyl]piperazinyl}-4-phenylbut-3-enoic acid
OR1074211-01	(E) -4- (Dimethylamino) but-2-enoic acid xhydrochloride

Catalog	Name
AR-C05246-01	(E) -4-Phenylbut-2-enoic acid
BAA19920	3-Phenylbut-2-enoic acid
FBA95325-01	2-Phenylbut-3-enoic acid
237504-01	(E) -2-Morpholino-4-Phenylbut-3-Enoic Acid
428914	4- (3,4-Dichlorophenyl) -4-phenylbut-3-enoic Acid
BG FE A001-01	(E) -3- (1H-benzimidazol-2-yl) -4-phenylbut-3-enoic acid
RG-P181516-01	2-Propylpent-4-Enoic Acid
sc-341077	2-acetamidopent-4-enoic acid
1575-71-9	2-isopropylpent-4-enoic acid
RG-A261635-01	4-Aminobut-2-Enoic Acid