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6940-85-8 | (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CAS No: 6940-85-8 Catalog No: AG006EEX MDL No:MFCD00022746
Product Description
Catalog Number:
AG006EEX
Chemical Name:
(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CAS Number:
6940-85-8
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
MDL Number:
MFCD00022746
IUPAC Name:
2-cyano-3-(1H-indol-3-yl)prop-2-enamide
InChI:
InChI=1S/C12H9N3O/c13-6-8(12(14)16)5-9-7-15-11-4-2-1-3-10(9)11/h1-5,7,15H,(H2,14,16)
InChI Key:
NLJUQIIPXVMEAA-UHFFFAOYSA-N
SMILES:
N#C/C(=C\c1c[nH]c2c1cccc2)/C(=O)N
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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