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14025-98-0 | 2,3,5-Heptatriene, (5E)-
CAS No: 14025-98-0 Catalog No: AG001C7M MDL No:
Product Description
Catalog Number:
AG001C7M
Chemical Name:
2,3,5-Heptatriene, (5E)-
CAS Number:
14025-98-0
Molecular Formula:
C7H10
Molecular Weight:
94.1543
IUPAC Name:
hepta-2,3,5-triene
InChI:
InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2H3
InChI Key:
XGDLHALGJCEPGB-UHFFFAOYSA-N
SMILES:
C/C=C/C=C=CC
Properties
Complexity:
101
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.078g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.157g/mol
Monoisotopic Mass:
94.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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