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1002-27-3

1002-27-3 | 1,3,6-HEPTATRIENE

CAS No: 1002-27-3 Catalog No: AG00017M MDL No:

Product Description

Catalog Number:
AG00017M
Chemical Name:
1,3,6-HEPTATRIENE
CAS Number:
1002-27-3
Molecular Formula:
C7H10
Molecular Weight:
94.1543
IUPAC Name:
(3E)-hepta-1,3,6-triene
InChI:
InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-5,7H,1-2,6H2/b7-5+
InChI Key:
CXHZYOISZDAYCU-FNORWQNLSA-N
SMILES:
C=CCC=CC=C

Properties

Complexity:
78  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
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:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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