Home Halogens 3-(2-chlorophenyl)but-2-enoic acid

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

CAS No.:
1049158-08-8
Catalog Number:
AG00HAGL
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
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Product Description
Catalog Number:
AG00HAGL
Chemical Name:
3-(2-chlorophenyl)but-2-enoic acid
CAS Number:
1049158-08-8
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
MDL Number:
MFCD11172852
IUPAC Name:
3-(2-chlorophenyl)but-2-enoic acid
InChI:
InChI=1S/C10H9ClO2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-6H,1H3,(H,12,13)
InChI Key:
MPYCDNZCWADMHD-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(c1ccccc1Cl)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  
Properties