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89062-28-2 | 2,6-Heptadienenitrile
CAS No: 89062-28-2 Catalog No: AG0041AO MDL No:
Product Description
Catalog Number:
AG0041AO
Chemical Name:
2,6-Heptadienenitrile
CAS Number:
89062-28-2
Molecular Formula:
C7H9N
Molecular Weight:
107.1531
IUPAC Name:
hepta-2,6-dienenitrile
InChI:
InChI=1S/C7H9N/c1-2-3-4-5-6-7-8/h2,5-6H,1,3-4H2
InChI Key:
BHMQZUGZYQLEOU-UHFFFAOYSA-N
SMILES:
C=CCCC=CC#N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.156g/mol
Monoisotopic Mass:
107.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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