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88716-70-5 | 2-Propenoic acid, 2-cyano-3-(2-pyridinylthio)-, methyl ester
CAS No: 88716-70-5 Catalog No: AG0045TW MDL No:
Product Description
Catalog Number:
AG0045TW
Chemical Name:
2-Propenoic acid, 2-cyano-3-(2-pyridinylthio)-, methyl ester
CAS Number:
88716-70-5
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
IUPAC Name:
methyl 2-cyano-3-pyridin-2-ylsulfanylprop-2-enoate
InChI:
InChI=1S/C10H8N2O2S/c1-14-10(13)8(6-11)7-15-9-4-2-3-5-12-9/h2-5,7H,1H3
InChI Key:
IZZFULWBTHFOOE-UHFFFAOYSA-N
SMILES:
N#CC(=CSc1ccccn1)C(=O)OC
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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