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29110-24-5 | 2-Pentenedinitrile, 4-methyl-
CAS No: 29110-24-5 Catalog No: AG002XCB MDL No:
Product Description
Catalog Number:
AG002XCB
Chemical Name:
2-Pentenedinitrile, 4-methyl-
CAS Number:
29110-24-5
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
IUPAC Name:
4-methylpent-2-enedinitrile
InChI:
InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h2-3,6H,1H3
InChI Key:
FTKNWDQTGIVUBE-UHFFFAOYSA-N
SMILES:
N#CC=CC(C#N)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.128g/mol
Monoisotopic Mass:
106.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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