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28980-74-7 | 3,5-Dodecadiene, 2-methyl-, (Z,Z)- (8CI)
CAS No: 28980-74-7 Catalog No: AG002V2J MDL No:
Product Description
Catalog Number:
AG002V2J
Chemical Name:
3,5-Dodecadiene, 2-methyl-, (Z,Z)- (8CI)
CAS Number:
28980-74-7
Molecular Formula:
C13H24
Molecular Weight:
180.3297
IUPAC Name:
2-methyldodeca-3,5-diene
InChI:
InChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h9-13H,4-8H2,1-3H3
InChI Key:
HULVBFBDOCMWOT-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C\C=C/C(C)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.188g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.335g/mol
Monoisotopic Mass:
180.188g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.7
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