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159153-39-6 | 2-Propenoic acid, 3-(6-chloro-3-pyridinyl)-, ethyl ester, (2E)-
CAS No: 159153-39-6 Catalog No: AG001QJB MDL No:MFCD04039877
Product Description
Catalog Number:
AG001QJB
Chemical Name:
2-Propenoic acid, 3-(6-chloro-3-pyridinyl)-, ethyl ester, (2E)-
CAS Number:
159153-39-6
Molecular Formula:
C10H10ClNO2
Molecular Weight:
211.6449
MDL Number:
MFCD04039877
IUPAC Name:
ethyl (E)-3-(6-chloropyridin-3-yl)prop-2-enoate
InChI:
InChI=1S/C10H10ClNO2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3/b6-4+
InChI Key:
FHRIBCCVJCCJCZ-GQCTYLIASA-N
SMILES:
CCOC(=O)/C=C/c1ccc(nc1)Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
211.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.645g/mol
Monoisotopic Mass:
211.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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