(E) -3- (3-Chlorophenyl) but-2-enoic acid

CAT: 0127-OR1063710-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063710-01Size:50 mg

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CAS Number

7394-51-6

Purity

98%

Smiles

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

Chemical Information

3-(3-Chlorophenyl)but-2-enoic acid

CAS Number	7394-51-6
PubChem CID	28791453
IUPAC Name	(E)-3-(3-chlorophenyl)but-2-enoic acid
Molecular Formula	C10H9ClO2
Molecular Weight	196.63
XLogP	3.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	223

SMILES

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

InChI

InChI=1S/C10H9ClO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)/b7-5+

InChIKey

AXCCQHVRLZOUFS-FNORWQNLSA-N

Chemical Structure

2D Structure

CAS: 7394-51-6

CID: 28791453

Formula: C10H9ClO2

MW: 196.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.63
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	196.0291072
Monoisotopic Mass	196.0291072
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	223
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

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OR1026767-01	(E) -Dec-2-Enoic Acid

Catalog	Name
RDA55207-01	3- (3-Chlorophenyl) but-2-enoic acid
ZRB15808-01	3- (2-Chlorophenyl) but-2-enoic acid
ZRB16096-01	3- (3-Chlorophenyl) pent-2-enoic acid, somers
UCA72707-01	3- (4-Chlorophenyl) -2-cyanoprop-2-enoic acid
PAA32888-01	(2E) -3- (4-Chlorophenyl) -2-methylprop-2-enoic acid
BCA74743-01	2- (4-Chlorophenyl) prop-2-enoic acid
FXB67633-01	(E) -5- (4-Chlorophenyl) -3-phenylpent-2-enoic acid
XQB08197-01	(2E) -3- (4-Bromo-3-chlorophenyl) prop-2-enoic acid
UTB31111-01	(2E) -3-{2-[ (2-Bromophenyl) methoxy]-5-chlorophenyl}prop-2-enoic acid
BAA19920	3-Phenylbut-2-enoic acid