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7166-18-9 | 2-Butenoic acid, 3-chloro-, methyl ester
CAS No: 7166-18-9 Catalog No: AG005G8H MDL No:
Product Description
Catalog Number:
AG005G8H
Chemical Name:
2-Butenoic acid, 3-chloro-, methyl ester
CAS Number:
7166-18-9
Molecular Formula:
C5H7ClO2
Molecular Weight:
134.5609
IUPAC Name:
methyl 3-chlorobut-2-enoate
InChI:
InChI=1S/C5H7ClO2/c1-4(6)3-5(7)8-2/h3H,1-2H3
InChI Key:
NQMWPCBPCHDUBG-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(Cl)C
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.013g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.559g/mol
Monoisotopic Mass:
134.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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