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101278-23-3 | 9H-Thioxanthene-4-carboxylic acid, 9-oxo-, ethyl ester
CAS No: 101278-23-3 Catalog No: AG00044D MDL No:
Product Description
Catalog Number:
AG00044D
Chemical Name:
9H-Thioxanthene-4-carboxylic acid, 9-oxo-, ethyl ester
CAS Number:
101278-23-3
Molecular Formula:
C16H12O3S
Molecular Weight:
284.3297
IUPAC Name:
ethyl 9-oxothioxanthene-4-carboxylate
InChI:
InChI=1S/C16H12O3S/c1-2-19-16(18)12-8-5-7-11-14(17)10-6-3-4-9-13(10)20-15(11)12/h3-9H,2H2,1H3
InChI Key:
LDNXCQVBZYGVHI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1sc1ccccc1c2=O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.329g/mol
Monoisotopic Mass:
284.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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