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160790-19-2 | Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
CAS No: 160790-19-2 Catalog No: AG001VCN MDL No:
Product Description
Catalog Number:
AG001VCN
Chemical Name:
Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
CAS Number:
160790-19-2
Molecular Formula:
C14H18O4S
Molecular Weight:
282.3553
IUPAC Name:
methyl 1-(benzenesulfonyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C14H18O4S/c1-18-13(15)14(10-6-3-7-11-14)19(16,17)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChI Key:
QKXWKAIGVBVCPM-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCCCC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.093g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.354g/mol
Monoisotopic Mass:
282.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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