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13781-50-5 | anthra[2,3-b]benzo[d]thiophene-7,12-dione
CAS No: 13781-50-5 Catalog No: AG0013VO MDL No:
Product Description
Catalog Number:
AG0013VO
Chemical Name:
anthra[2,3-b]benzo[d]thiophene-7,12-dione
CAS Number:
13781-50-5
Molecular Formula:
C20H10O2S
Molecular Weight:
314.3572
IUPAC Name:
10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
InChI:
InChI=1S/C20H10O2S/c21-19-12-6-1-2-7-13(12)20(22)16-10-18-14(9-15(16)19)11-5-3-4-8-17(11)23-18/h1-10H
InChI Key:
GTQCZMZQLQCVNV-UHFFFAOYSA-N
SMILES:
O=C1c2cc3c(cc2C(=O)c2c1cccc2)sc1c3cccc1
NSC Number:
135513
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.04g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.358g/mol
Monoisotopic Mass:
314.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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