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114175-89-2 | 3,7-Decadiene, 3,7-dimethyl-
CAS No: 114175-89-2 Catalog No: AG000AQM MDL No:
Product Description
Catalog Number:
AG000AQM
Chemical Name:
3,7-Decadiene, 3,7-dimethyl-
CAS Number:
114175-89-2
Molecular Formula:
C12H22
Molecular Weight:
166.3031
IUPAC Name:
3,7-dimethyldeca-3,7-diene
InChI:
InChI=1S/C12H22/c1-5-8-12(4)10-7-9-11(3)6-2/h8-9H,5-7,10H2,1-4H3
InChI Key:
KQVWODVOTACJRM-UHFFFAOYSA-N
SMILES:
CCC=C(CCC=C(CC)C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.172g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.308g/mol
Monoisotopic Mass:
166.172g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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