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89649-04-7 | 2,5-Octadiene, 7-chloro-2,6-dimethyl-
CAS No: 89649-04-7 Catalog No: AG003VV3 MDL No:
Product Description
Catalog Number:
AG003VV3
Chemical Name:
2,5-Octadiene, 7-chloro-2,6-dimethyl-
CAS Number:
89649-04-7
Molecular Formula:
C10H17Cl
Molecular Weight:
172.6950
IUPAC Name:
7-chloro-2,6-dimethylocta-2,5-diene
InChI:
InChI=1S/C10H17Cl/c1-8(2)6-5-7-9(3)10(4)11/h6-7,10H,5H2,1-4H3
InChI Key:
WVSDJZKRSBRRPN-UHFFFAOYSA-N
SMILES:
CC(=CCC=C(C(Cl)C)C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.102g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.696g/mol
Monoisotopic Mass:
172.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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