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16695-95-7 | 3-Cyclohexene-1-carbonyl chloride, 4-methyl-
CAS No: 16695-95-7 Catalog No: AG001X23 MDL No:
Product Description
Catalog Number:
AG001X23
Chemical Name:
3-Cyclohexene-1-carbonyl chloride, 4-methyl-
CAS Number:
16695-95-7
Molecular Formula:
C8H11ClO
Molecular Weight:
158.6253
IUPAC Name:
4-methylcyclohex-3-ene-1-carbonyl chloride
InChI:
InChI=1S/C8H11ClO/c1-6-2-4-7(5-3-6)8(9)10/h2,7H,3-5H2,1H3
InChI Key:
NZZITUYJLJVUTI-UHFFFAOYSA-N
SMILES:
CC1=CCC(CC1)C(=O)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.625g/mol
Monoisotopic Mass:
158.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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