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116172-14-6 | 3-Pentenenitrile, 3-methyl-, (3E)-
CAS No: 116172-14-6 Catalog No: AG000BSR MDL No:
Product Description
Catalog Number:
AG000BSR
Chemical Name:
3-Pentenenitrile, 3-methyl-, (3E)-
CAS Number:
116172-14-6
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
IUPAC Name:
3-methylpent-3-enenitrile
InChI:
InChI=1S/C6H9N/c1-3-6(2)4-5-7/h3H,4H2,1-2H3
InChI Key:
JZRREUKVKMMRQH-UHFFFAOYSA-N
SMILES:
C/C(=C\C)/CC#N
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.145g/mol
Monoisotopic Mass:
95.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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