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101691-65-0 | 2H-Pyran-4-methanol, tetrahydro-, 4-(4-methylbenzenesulfonate)
CAS No: 101691-65-0 Catalog No: AG00058M MDL No:MFCD09475806
Product Description
Catalog Number:
AG00058M
Chemical Name:
2H-Pyran-4-methanol, tetrahydro-, 4-(4-methylbenzenesulfonate)
CAS Number:
101691-65-0
Molecular Formula:
C13H18O4S
Molecular Weight:
270.3446
MDL Number:
MFCD09475806
IUPAC Name:
oxan-4-ylmethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
InChI Key:
DCBKCZSYJRZBDB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1CCOCC1
Properties
Complexity:
333
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:
0
Isotope Atom Count:
0
Molecular Weight:
270.343g/mol
Monoisotopic Mass:
270.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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