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192721-74-7 | Benzoic acid, 2-hydroxy-4-[(2-sulfoacetyl)oxy]-
CAS No: 192721-74-7 Catalog No: AG002G9V MDL No:
Product Description
Catalog Number:
AG002G9V
Chemical Name:
Benzoic acid, 2-hydroxy-4-[(2-sulfoacetyl)oxy]-
CAS Number:
192721-74-7
Molecular Formula:
C9H8O8S
Molecular Weight:
276.2200
IUPAC Name:
2-hydroxy-4-(2-sulfoacetyl)oxybenzoic acid
InChI:
InChI=1S/C9H8O8S/c10-7-3-5(1-2-6(7)9(12)13)17-8(11)4-18(14,15)16/h1-3,10H,4H2,(H,12,13)(H,14,15,16)
InChI Key:
KLNJVDJQQLMKKS-UHFFFAOYSA-N
SMILES:
O=C(CS(=O)(=O)O)Oc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.994g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.215g/mol
Monoisotopic Mass:
275.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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