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1233055-23-6 | 4-Pentenoic acid, 5-(6-chloro-3-pyridinyl)-3-oxo-, methyl ester
CAS No: 1233055-23-6 Catalog No: AG000KAK MDL No:
Product Description
Catalog Number:
AG000KAK
Chemical Name:
4-Pentenoic acid, 5-(6-chloro-3-pyridinyl)-3-oxo-, methyl ester
CAS Number:
1233055-23-6
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
IUPAC Name:
methyl (E)-5-(6-chloropyridin-3-yl)-3-oxopent-4-enoate
InChI:
InChI=1S/C11H10ClNO3/c1-16-11(15)6-9(14)4-2-8-3-5-10(12)13-7-8/h2-5,7H,6H2,1H3/b4-2+
InChI Key:
KKQMYWNFIHJJJZ-DUXPYHPUSA-N
SMILES:
COC(=O)CC(=O)C=Cc1ccc(nc1)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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