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113466-23-2 | 4H,5H-Thiopyrano[3,2-c][1]benzopyran-4-one, 2,3-dihydro-9-methyl-
CAS No: 113466-23-2 Catalog No: AG0008NY MDL No:
Product Description
Catalog Number:
AG0008NY
Chemical Name:
4H,5H-Thiopyrano[3,2-c][1]benzopyran-4-one, 2,3-dihydro-9-methyl-
CAS Number:
113466-23-2
Molecular Formula:
C13H12O2S
Molecular Weight:
232.2982
IUPAC Name:
9-methyl-3,5-dihydro-2H-thiopyrano[3,2-c]chromen-4-one
InChI:
InChI=1S/C13H12O2S/c1-8-2-3-12-9(6-8)13-10(7-15-12)11(14)4-5-16-13/h2-3,6H,4-5,7H2,1H3
InChI Key:
WEJHYEJNJNNSKE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C1=C(CO2)C(=O)CCS1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.297g/mol
Monoisotopic Mass:
232.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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