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81124-46-1 | 2-Propenoic acid, 3-(2-quinolinyl)-, methyl ester, (2E)-
CAS No: 81124-46-1 Catalog No: AG005618 MDL No:
Product Description
Catalog Number:
AG005618
Chemical Name:
2-Propenoic acid, 3-(2-quinolinyl)-, methyl ester, (2E)-
CAS Number:
81124-46-1
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
IUPAC Name:
methyl 3-quinolin-2-ylprop-2-enoate
InChI:
InChI=1S/C13H11NO2/c1-16-13(15)9-8-11-7-6-10-4-2-3-5-12(10)14-11/h2-9H,1H3
InChI Key:
JZHPAMDTRMIGJP-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1ccc2c(n1)cccc2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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