200,000+ products from a single source!
sales@angenechem.com
83817-60-1 | 9H-Thioxanthene-2-carboxylicacid, 9-oxo-, ethyl ester
CAS No: 83817-60-1 Catalog No: AG00556P MDL No:
Product Description
Catalog Number:
AG00556P
Chemical Name:
9H-Thioxanthene-2-carboxylicacid, 9-oxo-, ethyl ester
CAS Number:
83817-60-1
Molecular Formula:
C16H12O3S
Molecular Weight:
284.3297
IUPAC Name:
ethyl 9-oxothioxanthene-2-carboxylate
InChI:
InChI=1S/C16H12O3S/c1-2-19-16(18)10-7-8-14-12(9-10)15(17)11-5-3-4-6-13(11)20-14/h3-9H,2H2,1H3
InChI Key:
PKUZBJXWIOTQFQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)c(=O)c1c(s2)cccc1
EC Number:
280-960-7
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:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.