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2783-10-0 | 1,3-Hexadiene, 5-methyl-
CAS No: 2783-10-0 Catalog No: AG002UVQ MDL No:
Product Description
Catalog Number:
AG002UVQ
Chemical Name:
1,3-Hexadiene, 5-methyl-
CAS Number:
2783-10-0
Molecular Formula:
C7H12
Molecular Weight:
96.1702
IUPAC Name:
(3E)-5-methylhexa-1,3-diene
InChI:
InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-7H,1H2,2-3H3/b6-5+
InChI Key:
HQLSCIPCIFAMOK-AATRIKPKSA-N
SMILES:
C=CC=CC(C)C
Properties
Complexity:
68.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
2.8
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