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130439-83-7 | Naphtho[2,1-b]thiophene-6,9-dione, 1,2-dihydro-4-methyl-, 3,3-dioxide
CAS No: 130439-83-7 Catalog No: AG000UFK MDL No:
Product Description
Catalog Number:
AG000UFK
Chemical Name:
Naphtho[2,1-b]thiophene-6,9-dione, 1,2-dihydro-4-methyl-, 3,3-dioxide
CAS Number:
130439-83-7
Molecular Formula:
C13H10O4S
Molecular Weight:
262.2811
IUPAC Name:
4-methyl-3,3-dioxo-1,2-dihydrobenzo[e][1]benzothiole-6,9-dione
InChI:
InChI=1S/C13H10O4S/c1-7-6-9-10(14)2-3-11(15)12(9)8-4-5-18(16,17)13(7)8/h2-3,6H,4-5H2,1H3
InChI Key:
AVCPOPUTNSIZDA-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1c1CCS(=O)(=O)c1c(c2)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.279g/mol
Monoisotopic Mass:
262.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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