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126947-12-4 | 1,1-Cyclopropanedicarboxylic acid, 2-(phenylsulfonyl)-, 1,1-diethyl ester
CAS No: 126947-12-4 Catalog No: AG000WGH MDL No:
Product Description
Catalog Number:
AG000WGH
Chemical Name:
1,1-Cyclopropanedicarboxylic acid, 2-(phenylsulfonyl)-, 1,1-diethyl ester
CAS Number:
126947-12-4
Molecular Formula:
C15H18O6S
Molecular Weight:
326.3648
IUPAC Name:
diethyl 2-(benzenesulfonyl)cyclopropane-1,1-dicarboxylate
InChI:
InChI=1S/C15H18O6S/c1-3-20-13(16)15(14(17)21-4-2)10-12(15)22(18,19)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChI Key:
LTZMZFOOXSUBNC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1S(=O)(=O)c1ccccc1)C(=O)OCC
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.363g/mol
Monoisotopic Mass:
326.082g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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