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88469-95-8 | 4H-1-Benzothiopyran-4-one, 2-[(dimethylamino)methyl]-3-hydroxy-
CAS No: 88469-95-8 Catalog No: AG0049S7 MDL No:
Product Description
Catalog Number:
AG0049S7
Chemical Name:
4H-1-Benzothiopyran-4-one, 2-[(dimethylamino)methyl]-3-hydroxy-
CAS Number:
88469-95-8
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
2-[(dimethylamino)methyl]-3-hydroxythiochromen-4-one
InChI:
InChI=1S/C12H13NO2S/c1-13(2)7-10-12(15)11(14)8-5-3-4-6-9(8)16-10/h3-6,15H,7H2,1-2H3
InChI Key:
NWUPXUQGUQZIBG-UHFFFAOYSA-N
SMILES:
CN(Cc1sc2ccccc2c(=O)c1O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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