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7402-82-6 | Benzoicacid, 4-[(4-methylphenyl)sulfonyl]-
CAS No: 7402-82-6 Catalog No: AG005I7N MDL No:
Product Description
Catalog Number:
AG005I7N
Chemical Name:
Benzoicacid, 4-[(4-methylphenyl)sulfonyl]-
CAS Number:
7402-82-6
Molecular Formula:
C14H12O4S
Molecular Weight:
276.3077
IUPAC Name:
4-(4-methylphenyl)sulfonylbenzoic acid
InChI:
InChI=1S/C14H12O4S/c1-10-2-6-12(7-3-10)19(17,18)13-8-4-11(5-9-13)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
IJMMZCCKPZRGOU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)O
NSC Number:
400324
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.306g/mol
Monoisotopic Mass:
276.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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