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88716-79-4 | 2-Propenoic acid, 2-cyano-3-(2-quinolinylthio)-, methyl ester
CAS No: 88716-79-4 Catalog No: AG0045TU MDL No:
Product Description
Catalog Number:
AG0045TU
Chemical Name:
2-Propenoic acid, 2-cyano-3-(2-quinolinylthio)-, methyl ester
CAS Number:
88716-79-4
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
IUPAC Name:
methyl 2-cyano-3-quinolin-2-ylsulfanylprop-2-enoate
InChI:
InChI=1S/C14H10N2O2S/c1-18-14(17)11(8-15)9-19-13-7-6-10-4-2-3-5-12(10)16-13/h2-7,9H,1H3
InChI Key:
LVFXOYVQWTUGQV-UHFFFAOYSA-N
SMILES:
N#CC(=CSc1ccc2c(n1)cccc2)C(=O)OC
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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