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87352-03-2 | 2-Propenenitrile, 2-formyl-3-(methylamino)-3-phenyl-, (Z)-
CAS No: 87352-03-2 Catalog No: AG004O2I MDL No:
Product Description
Catalog Number:
AG004O2I
Chemical Name:
2-Propenenitrile, 2-formyl-3-(methylamino)-3-phenyl-, (Z)-
CAS Number:
87352-03-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
2-formyl-3-(methylamino)-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C11H10N2O/c1-13-11(10(7-12)8-14)9-5-3-2-4-6-9/h2-6,8,13H,1H3
InChI Key:
WATKXFNDAAPJMF-UHFFFAOYSA-N
SMILES:
CN/C(=C(/C#N)\C=O)/c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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