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3111-61-3 | Propanedinitrile, 2-[1-(4-methylphenyl)ethylidene]-
CAS No: 3111-61-3 Catalog No: AG00325J MDL No:
Product Description
Catalog Number:
AG00325J
Chemical Name:
Propanedinitrile, 2-[1-(4-methylphenyl)ethylidene]-
CAS Number:
3111-61-3
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
2-[1-(4-methylphenyl)ethylidene]propanedinitrile
InChI:
InChI=1S/C12H10N2/c1-9-3-5-11(6-4-9)10(2)12(7-13)8-14/h3-6H,1-2H3
InChI Key:
XYWJLFIDPXBVOD-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccc(cc1)C)C)C#N
NSC Number:
98325
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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