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17999-71-2 | 2-Propenoic acid, 2-cyano-3-(3-pyridinyl)-, ethyl ester
CAS No: 17999-71-2 Catalog No: AG0021JN MDL No:MFCD00564622
Product Description
Catalog Number:
AG0021JN
Chemical Name:
2-Propenoic acid, 2-cyano-3-(3-pyridinyl)-, ethyl ester
CAS Number:
17999-71-2
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00564622
IUPAC Name:
ethyl 2-cyano-3-pyridin-3-ylprop-2-enoate
InChI:
InChI=1S/C11H10N2O2/c1-2-15-11(14)10(7-12)6-9-4-3-5-13-8-9/h3-6,8H,2H2,1H3
InChI Key:
BMMBXBIFKMYOLF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1cccnc1)C#N
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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