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137867-69-7 | Naphtho[2,1-b]thiophenetriol (9CI)
CAS No: 137867-69-7 Catalog No: AG0013ZO MDL No:
Product Description
Catalog Number:
AG0013ZO
Chemical Name:
Naphtho[2,1-b]thiophenetriol (9CI)
CAS Number:
137867-69-7
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
IUPAC Name:
benzo[e][1]benzothiole-1,2,4-triol
InChI:
InChI=1S/C12H8O3S/c13-8-5-6-3-1-2-4-7(6)9-10(14)12(15)16-11(8)9/h1-5,13-15H
InChI Key:
WPTCAOQTCZXGLC-UHFFFAOYSA-N
SMILES:
Oc1cc2ccccc2c2c1sc(c2O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.253g/mol
Monoisotopic Mass:
232.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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