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5048-25-9 | Hept-6-enenitrile
CAS No: 5048-25-9 Catalog No: AG003N85 MDL No:
Product Description
Catalog Number:
AG003N85
Chemical Name:
Hept-6-enenitrile
CAS Number:
5048-25-9
Molecular Formula:
C7H11N
Molecular Weight:
109.1689
IUPAC Name:
hept-6-enenitrile
InChI:
InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2H,1,3-6H2
InChI Key:
ZLWQKLRMIQIHKQ-UHFFFAOYSA-N
SMILES:
C=CCCCCC#N
Properties
Complexity:
96.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.172g/mol
Monoisotopic Mass:
109.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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