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116440-70-1 | 1,5-Hexadiene, 2-chloro-5-methyl-
CAS No: 116440-70-1 Catalog No: AG000CHK MDL No:
Product Description
Catalog Number:
AG000CHK
Chemical Name:
1,5-Hexadiene, 2-chloro-5-methyl-
CAS Number:
116440-70-1
Molecular Formula:
C7H11Cl
Molecular Weight:
130.6152
IUPAC Name:
2-chloro-5-methylhexa-1,5-diene
InChI:
InChI=1S/C7H11Cl/c1-6(2)4-5-7(3)8/h1,3-5H2,2H3
InChI Key:
LTHUJBGUUIEHBS-UHFFFAOYSA-N
SMILES:
CC(=C)CCC(=C)Cl
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.055g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.615g/mol
Monoisotopic Mass:
130.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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