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136637-29-1 | 4H-1-Benzothiopyran-3-carboxylic acid, 6-methoxy-4-oxo-, ethyl ester
CAS No: 136637-29-1 Catalog No: AG00125W MDL No:
Product Description
Catalog Number:
AG00125W
Chemical Name:
4H-1-Benzothiopyran-3-carboxylic acid, 6-methoxy-4-oxo-, ethyl ester
CAS Number:
136637-29-1
Molecular Formula:
C13H12O4S
Molecular Weight:
264.2970
IUPAC Name:
ethyl 6-methoxy-4-oxothiochromene-3-carboxylate
InChI:
InChI=1S/C13H12O4S/c1-3-17-13(15)10-7-18-11-5-4-8(16-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
InChI Key:
MAPDLYCKAVCECM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc2c(c1=O)cc(cc2)OC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.295g/mol
Monoisotopic Mass:
264.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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