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15592-57-1 | 2-Oxiranemethanol, 2-benzenesulfonate
CAS No: 15592-57-1 Catalog No: AG001OD7 MDL No:MFCD28897493
Product Description
Catalog Number:
AG001OD7
Chemical Name:
2-Oxiranemethanol, 2-benzenesulfonate
CAS Number:
15592-57-1
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD28897493
IUPAC Name:
oxiran-2-ylmethyl benzenesulfonate
InChI:
InChI=1S/C9H10O4S/c10-14(11,13-7-8-6-12-8)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChI Key:
PGIGXJYEXSOUNZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)OCC1OC1
NSC Number:
145996
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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