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155468-70-5 | 3-Cyclohexene-1-carbonyl chloride, 4-pentyl-
CAS No: 155468-70-5 Catalog No: AG001NXN MDL No:
Product Description
Catalog Number:
AG001NXN
Chemical Name:
3-Cyclohexene-1-carbonyl chloride, 4-pentyl-
CAS Number:
155468-70-5
Molecular Formula:
C12H19ClO
Molecular Weight:
214.7317
IUPAC Name:
4-pentylcyclohex-3-ene-1-carbonyl chloride
InChI:
InChI=1S/C12H19ClO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6,11H,2-5,7-9H2,1H3
InChI Key:
ZJTCQJPFUDJDKL-UHFFFAOYSA-N
SMILES:
CCCCCC1=CCC(CC1)C(=O)Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.733g/mol
Monoisotopic Mass:
214.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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