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7736-41-6 | 1,2-Hexadiene, 3-methyl-
CAS No: 7736-41-6 Catalog No: AG005BU9 MDL No:
Product Description
Catalog Number:
AG005BU9
Chemical Name:
1,2-Hexadiene, 3-methyl-
CAS Number:
7736-41-6
Molecular Formula:
C7H12
Molecular Weight:
96.1702
IUPAC Name:
3-methylhexa-1,2-diene
InChI:
InChI=1S/C7H12/c1-4-6-7(3)5-2/h2,4,6H2,1,3H3
InChI Key:
NLMUJSVKDJTCSV-UHFFFAOYSA-N
SMILES:
CC(=C=C)CCC
Properties
Complexity:
84.2
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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