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89062-76-0 | Benzenesulfonic acid, 5-benzoyl-2-hydroxy-4-methoxy-
CAS No: 89062-76-0 Catalog No: AG0040S7 MDL No:
Product Description
Catalog Number:
AG0040S7
Chemical Name:
Benzenesulfonic acid, 5-benzoyl-2-hydroxy-4-methoxy-
CAS Number:
89062-76-0
Molecular Formula:
C14H12O6S
Molecular Weight:
308.3065
IUPAC Name:
5-benzoyl-2-hydroxy-4-methoxybenzenesulfonic acid
InChI:
InChI=1S/C14H12O6S/c1-20-12-8-11(15)13(21(17,18)19)7-10(12)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
InChI Key:
ODIAPLYUPCONAN-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(cc1C(=O)c1ccccc1)S(=O)(=O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.304g/mol
Monoisotopic Mass:
308.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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