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89664-44-8 | 2-Furanol, tetrahydro-5,5-dimethyl-2-[(phenylsulfonyl)methyl]-
CAS No: 89664-44-8 Catalog No: AG0043WN MDL No:
Product Description
Catalog Number:
AG0043WN
Chemical Name:
2-Furanol, tetrahydro-5,5-dimethyl-2-[(phenylsulfonyl)methyl]-
CAS Number:
89664-44-8
Molecular Formula:
C13H18O4S
Molecular Weight:
270.3446
IUPAC Name:
2-(benzenesulfonylmethyl)-5,5-dimethyloxolan-2-ol
InChI:
InChI=1S/C13H18O4S/c1-12(2)8-9-13(14,17-12)10-18(15,16)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3
InChI Key:
YHWZFITVFVAKJQ-UHFFFAOYSA-N
SMILES:
OC1(CCC(O1)(C)C)CS(=O)(=O)c1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.343g/mol
Monoisotopic Mass:
270.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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