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15833-63-3 | 3-Furanmethanol, tetrahydro-, 3-(4-methylbenzenesulfonate)
CAS No: 15833-63-3 Catalog No: AG001Q51 MDL No:
Product Description
Catalog Number:
AG001Q51
Chemical Name:
3-Furanmethanol, tetrahydro-, 3-(4-methylbenzenesulfonate)
CAS Number:
15833-63-3
Molecular Formula:
C12H18O5S
Molecular Weight:
274.3333
IUPAC Name:
oxolan-3-ylmethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H16O4S/c1-10-2-4-12(5-3-10)17(13,14)16-9-11-6-7-15-8-11/h2-5,11H,6-9H2,1H3
InChI Key:
BNBVZUYOFJWGNJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.OCC1COCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.316g/mol
Monoisotopic Mass:
256.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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