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89066-39-7 | 2-Butenenitrile, 2-amino-
CAS No: 89066-39-7 Catalog No: AG0041AE MDL No:
Product Description
Catalog Number:
AG0041AE
Chemical Name:
2-Butenenitrile, 2-amino-
CAS Number:
89066-39-7
Molecular Formula:
C4H6N2
Molecular Weight:
82.1038
IUPAC Name:
2-aminobut-2-enenitrile
InChI:
InChI=1S/C4H6N2/c1-2-4(6)3-5/h2H,6H2,1H3
InChI Key:
INSZCGNRQYJGNF-UHFFFAOYSA-N
SMILES:
CC=C(C#N)N
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.053g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
82.106g/mol
Monoisotopic Mass:
82.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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