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126522-01-8 | 4H-Thieno[3,2-c][1]benzopyran-2-carboxylic acid, methyl ester
CAS No: 126522-01-8 Catalog No: AG000SVC MDL No:
Product Description
Catalog Number:
AG000SVC
Chemical Name:
4H-Thieno[3,2-c][1]benzopyran-2-carboxylic acid, methyl ester
CAS Number:
126522-01-8
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
IUPAC Name:
methyl 4H-thieno[3,2-c]chromene-2-carboxylate
InChI:
InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3
InChI Key:
SSWWLCIIZQNEAE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)c1ccccc1OC2
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.28g/mol
Monoisotopic Mass:
246.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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 |
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