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998-94-7 | 4-METHYL-1,5-HEPTADIENE
CAS No: 998-94-7 Catalog No: AG004TPK MDL No:
Product Description
Catalog Number:
AG004TPK
Chemical Name:
4-METHYL-1,5-HEPTADIENE
CAS Number:
998-94-7
Molecular Formula:
C8H14
Molecular Weight:
110.1968
IUPAC Name:
(5E)-4-methylhepta-1,5-diene
InChI:
InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4-5,7-8H,1,6H2,2-3H3/b7-5+
InChI Key:
ITKKJSFRRSLPHX-FNORWQNLSA-N
SMILES:
C=CCC(C=CC)C
Properties
Complexity:
80
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
110.11g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.2g/mol
Monoisotopic Mass:
110.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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