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1023815-74-8 | 1,1-Cyclobutanedimethanol, 3,3-dimethoxy-, 1,1-bis(4-methylbenzenesulfonate)
CAS No: 1023815-74-8 Catalog No: AG0007B0 MDL No:
Product Description
Catalog Number:
AG0007B0
Chemical Name:
1,1-Cyclobutanedimethanol, 3,3-dimethoxy-, 1,1-bis(4-methylbenzenesulfonate)
CAS Number:
1023815-74-8
Molecular Formula:
C22H28O8S2
Molecular Weight:
484.5829
IUPAC Name:
[3,3-dimethoxy-1-[(4-methylphenyl)sulfonyloxymethyl]cyclobutyl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C22H28O8S2/c1-17-5-9-19(10-6-17)31(23,24)29-15-21(13-22(14-21,27-3)28-4)16-30-32(25,26)20-11-7-18(2)8-12-20/h5-12H,13-16H2,1-4H3
InChI Key:
QFXYVIUEQYBCKC-UHFFFAOYSA-N
SMILES:
COC1(OC)CC(C1)(COS(=O)(=O)c1ccc(cc1)C)COS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.123g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
484.578g/mol
Monoisotopic Mass:
484.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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