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249285-50-5 | 1,2-Ethanediol, 1-benzenesulfonate
CAS No: 249285-50-5 Catalog No: AG002PW2 MDL No:MFCD23160722
Product Description
Catalog Number:
AG002PW2
Chemical Name:
1,2-Ethanediol, 1-benzenesulfonate
CAS Number:
249285-50-5
Molecular Formula:
C8H10O4S
Molecular Weight:
202.2276
MDL Number:
MFCD23160722
IUPAC Name:
2-hydroxyethyl benzenesulfonate
InChI:
InChI=1S/C8H10O4S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
BJFRCYIYQLHUDS-UHFFFAOYSA-N
SMILES:
OCCOS(=O)(=O)c1ccccc1
NSC Number:
67178
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.224g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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