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127404-77-7 | 3-Butenoic acid, 4-(3,4-dichlorophenyl)-, (E)- (9CI)
CAS No: 127404-77-7 Catalog No: AG000X12 MDL No:
Product Description
Catalog Number:
AG000X12
Chemical Name:
3-Butenoic acid, 4-(3,4-dichlorophenyl)-, (E)- (9CI)
CAS Number:
127404-77-7
Molecular Formula:
C10H8Cl2O2
Molecular Weight:
231.0753
IUPAC Name:
4-(3,4-dichlorophenyl)but-3-enoic acid
InChI:
InChI=1S/C10H8Cl2O2/c11-8-5-4-7(6-9(8)12)2-1-3-10(13)14/h1-2,4-6H,3H2,(H,13,14)
InChI Key:
ADCFJLDKSFOABQ-UHFFFAOYSA-N
SMILES:
OC(=O)C/C=C/c1ccc(c(c1)Cl)Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.072g/mol
Monoisotopic Mass:
229.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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