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Home > Quinoline > 174475-38-8
174475-38-8 | 2-Propenoic acid, 2-cyano-3-(3-quinolinyl)-, methyl ester, (2E)-
CAS No: 174475-38-8 Catalog No: AG001ZOO MDL No:
Product Description
Catalog Number:
AG001ZOO
Chemical Name:
2-Propenoic acid, 2-cyano-3-(3-quinolinyl)-, methyl ester, (2E)-
CAS Number:
174475-38-8
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
methyl 2-cyano-3-quinolin-3-ylprop-2-enoate
InChI:
InChI=1S/C14H10N2O2/c1-18-14(17)12(8-15)7-10-6-11-4-2-3-5-13(11)16-9-10/h2-7,9H,1H3
InChI Key:
PJFPVGFPENNCND-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1cnc2c(c1)cccc2)/C(=O)OC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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