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7341-79-9 | Naphth[1,2-d]oxazole-5-sulfonic acid, 1,2-dihydro-2-thioxo-
CAS No: 7341-79-9 Catalog No: AG0060GU MDL No:
Product Description
Catalog Number:
AG0060GU
Chemical Name:
Naphth[1,2-d]oxazole-5-sulfonic acid, 1,2-dihydro-2-thioxo-
CAS Number:
7341-79-9
Molecular Formula:
C11H7NO4S2
Molecular Weight:
281.3076
IUPAC Name:
2-sulfanylidene-1H-benzo[e][1,3]benzoxazole-5-sulfonic acid
InChI:
InChI=1S/C11H7NO4S2/c13-18(14,15)9-5-8-10(12-11(17)16-8)7-4-2-1-3-6(7)9/h1-5H,(H,12,17)(H,13,14,15)
InChI Key:
UKQWXPPSPXPABG-UHFFFAOYSA-N
SMILES:
S=c1oc2c([nH]1)c1ccccc1c(c2)S(=O)(=O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.982g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.3g/mol
Monoisotopic Mass:
280.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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