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89517-71-5 | 1-Pentene, 1,1-dichloro-3,3,4-trimethyl-
CAS No: 89517-71-5 Catalog No: AG0040PJ MDL No:
Product Description
Catalog Number:
AG0040PJ
Chemical Name:
1-Pentene, 1,1-dichloro-3,3,4-trimethyl-
CAS Number:
89517-71-5
Molecular Formula:
C8H14Cl2
Molecular Weight:
181.1028
IUPAC Name:
1,1-dichloro-3,3,4-trimethylpent-1-ene
InChI:
InChI=1S/C8H14Cl2/c1-6(2)8(3,4)5-7(9)10/h5-6H,1-4H3
InChI Key:
OHHICJQEDCMLKC-UHFFFAOYSA-N
SMILES:
CC(C(C=C(Cl)Cl)(C)C)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.1g/mol
Monoisotopic Mass:
180.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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