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131079-29-3 | 2-Butenedinitrile, 2-(1,1-dimethylethyl)-
CAS No: 131079-29-3 Catalog No: AG000VHW MDL No:
Product Description
Catalog Number:
AG000VHW
Chemical Name:
2-Butenedinitrile, 2-(1,1-dimethylethyl)-
CAS Number:
131079-29-3
Molecular Formula:
C8H10N2
Molecular Weight:
134.1784
IUPAC Name:
2-tert-butylbut-2-enedinitrile
InChI:
InChI=1S/C8H10N2/c1-8(2,3)7(6-10)4-5-9/h4H,1-3H3
InChI Key:
WGGPUYXDGYTCJX-UHFFFAOYSA-N
SMILES:
N#CC=C(C(C)(C)C)C#N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.182g/mol
Monoisotopic Mass:
134.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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