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1615-70-9 | 2,4-Pentadienenitrile
CAS No: 1615-70-9 Catalog No: AG001VNJ MDL No:
Product Description
Catalog Number:
AG001VNJ
Chemical Name:
2,4-Pentadienenitrile
CAS Number:
1615-70-9
Molecular Formula:
C5H5N
Molecular Weight:
79.0999
IUPAC Name:
(2E)-penta-2,4-dienenitrile
InChI:
InChI=1S/C5H5N/c1-2-3-4-5-6/h2-4H,1H2/b4-3+
InChI Key:
STSRVFAXSLNLLI-ONEGZZNKSA-N
SMILES:
C=CC=CC#N
EC Number:
216-566-9
UNII:
53403153MA
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
79.042g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
79.102g/mol
Monoisotopic Mass:
79.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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