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1001-09-8 | 1,3,5-Heptatriene, 4,6-dimethyl-, (E)- (9CI)
CAS No: 1001-09-8 Catalog No: AG0000XH MDL No:
Product Description
Catalog Number:
AG0000XH
Chemical Name:
1,3,5-Heptatriene, 4,6-dimethyl-, (E)- (9CI)
CAS Number:
1001-09-8
Molecular Formula:
C9H14
Molecular Weight:
122.2075
IUPAC Name:
4,6-dimethylhepta-1,3,5-triene
InChI:
InChI=1S/C9H14/c1-5-6-9(4)7-8(2)3/h5-7H,1H2,2-4H3
InChI Key:
PLJOWDJZXJZIBM-UHFFFAOYSA-N
SMILES:
C=C/C=C(/C=C(C)C)\C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.11g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.211g/mol
Monoisotopic Mass:
122.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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