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Home Carboxys 4H-Thieno[3,2-c][1]benzopyran-2-carboxylic acid

4H-Thieno[3,2-c][1]benzopyran-2-carboxylic acid

CAS No.:
26268-04-2
Catalog Number:
AG002SJ7
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
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Product Description
Catalog Number:
AG002SJ7
Chemical Name:
4H-Thieno[3,2-c][1]benzopyran-2-carboxylic acid
CAS Number:
26268-04-2
Molecular Formula:
C12H8O3S
Molecular Weight:
232.2551
MDL Number:
MFCD06335025
IUPAC Name:
4H-thieno[3,2-c]chromene-2-carboxylic acid
InChI:
InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
InChI Key:
ZMEWPWRPNHFDRC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(s1)c1ccccc1OC2
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.253g/mol
Monoisotopic Mass:
232.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties