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13724-10-2 | Propanedinitrile, 2-[(dimethylamino)phenylmethylene]-
CAS No: 13724-10-2 Catalog No: AG001306 MDL No:
Product Description
Catalog Number:
AG001306
Chemical Name:
Propanedinitrile, 2-[(dimethylamino)phenylmethylene]-
CAS Number:
13724-10-2
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
IUPAC Name:
2-[dimethylamino(phenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C12H11N3/c1-15(2)12(11(8-13)9-14)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
ZWUVEFUMOULPII-UHFFFAOYSA-N
SMILES:
CN(C(=C(C#N)C#N)c1ccccc1)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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