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873838-52-9 | Benzenesulfonic acid, 4-ethyl-3-hydroxy-
CAS No: 873838-52-9 Catalog No: AG004NTV MDL No:
Product Description
Catalog Number:
AG004NTV
Chemical Name:
Benzenesulfonic acid, 4-ethyl-3-hydroxy-
CAS Number:
873838-52-9
Molecular Formula:
C8H10O4S
Molecular Weight:
202.2276
IUPAC Name:
4-ethyl-3-hydroxybenzenesulfonic acid
InChI:
InChI=1S/C8H10O4S/c1-2-6-3-4-7(5-8(6)9)13(10,11)12/h3-5,9H,2H2,1H3,(H,10,11,12)
InChI Key:
ZDFBAWMKSMVTDZ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1O)S(=O)(=O)O
Properties
Complexity:
254
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:
2
Isotope Atom Count:
0
Molecular Weight:
202.224g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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