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200636-12-0 | Propanedinitrile, 2-[(2E,4E)-5-(dimethylamino)-2,4-pentadien-1-ylidene]-
CAS No: 200636-12-0 Catalog No: AG002CVU MDL No:
Product Description
Catalog Number:
AG002CVU
Chemical Name:
Propanedinitrile, 2-[(2E,4E)-5-(dimethylamino)-2,4-pentadien-1-ylidene]-
CAS Number:
200636-12-0
Molecular Formula:
C10H11N3
Molecular Weight:
173.2144
IUPAC Name:
2-[5-(dimethylamino)penta-2,4-dienylidene]propanedinitrile
InChI:
InChI=1S/C10H11N3/c1-13(2)7-5-3-4-6-10(8-11)9-12/h3-7H,1-2H3
InChI Key:
IMSCTDUDAHUTIC-UHFFFAOYSA-N
SMILES:
N#CC(=C/C=C/C=C/N(C)C)C#N
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.219g/mol
Monoisotopic Mass:
173.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.6
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