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1572-52-7 | Pentanedinitrile, 2-methylene-
CAS No: 1572-52-7 Catalog No: AG001PAE MDL No:MFCD00001869
Product Description
Catalog Number:
AG001PAE
Chemical Name:
Pentanedinitrile, 2-methylene-
CAS Number:
1572-52-7
Molecular Formula:
C6H6N2
Molecular Weight:
106.1252
MDL Number:
MFCD00001869
IUPAC Name:
2-methylidenepentanedinitrile
InChI:
InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
InChI Key:
NGCJVMZXRCLPRQ-UHFFFAOYSA-N
SMILES:
N#CCCC(=C)C#N
EC Number:
216-391-8
UNII:
0Y85F7Y2B8
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:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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