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115498-53-8 | 3-Cyclohexene-1-carbonyl chloride, 4-propyl-
CAS No: 115498-53-8 Catalog No: AG000G2C MDL No:
Product Description
Catalog Number:
AG000G2C
Chemical Name:
3-Cyclohexene-1-carbonyl chloride, 4-propyl-
CAS Number:
115498-53-8
Molecular Formula:
C10H15ClO
Molecular Weight:
186.6785
IUPAC Name:
4-propylcyclohex-3-ene-1-carbonyl chloride
InChI:
InChI=1S/C10H15ClO/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4,9H,2-3,5-7H2,1H3
InChI Key:
BVZYPFSQNAMBEP-UHFFFAOYSA-N
SMILES:
CCCC1=CCC(CC1)C(=O)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.081g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.679g/mol
Monoisotopic Mass:
186.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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