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88227-01-4 | 2,6-Heptadienenitrile, 3-methyl-, (E)-
CAS No: 88227-01-4 Catalog No: AG004B7R MDL No:
Product Description
Catalog Number:
AG004B7R
Chemical Name:
2,6-Heptadienenitrile, 3-methyl-, (E)-
CAS Number:
88227-01-4
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
IUPAC Name:
3-methylhepta-2,6-dienenitrile
InChI:
InChI=1S/C8H11N/c1-3-4-5-8(2)6-7-9/h3,6H,1,4-5H2,2H3
InChI Key:
UEZJMHVNOJGXTQ-UHFFFAOYSA-N
SMILES:
C/C(=C\C#N)/CCC=C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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