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100596-91-6 | 3-Heptenenitrile, (3E)-
CAS No: 100596-91-6 Catalog No: AG0002F2 MDL No:
Product Description
Catalog Number:
AG0002F2
Chemical Name:
3-Heptenenitrile, (3E)-
CAS Number:
100596-91-6
Molecular Formula:
C7H11N
Molecular Weight:
109.1689
IUPAC Name:
hept-3-enenitrile
InChI:
InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h4-5H,2-3,6H2,1H3
InChI Key:
VXBPQPZINCBINS-UHFFFAOYSA-N
SMILES:
CCC/C=C/CC#N
Properties
Complexity:
105
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:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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