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20300-59-8

20300-59-8 | 2H-1-Benzopyran-3-carboxylic acid, 7-methoxy-2-oxo-

CAS No: 20300-59-8 Catalog No: AG0028N8 MDL No:MFCD00452770

Product Description

Catalog Number:
AG0028N8
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 7-methoxy-2-oxo-
CAS Number:
20300-59-8
Molecular Formula:
C11H8O5
Molecular Weight:
220.1782
MDL Number:
MFCD00452770
IUPAC Name:
7-methoxy-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
InChI Key:
VEEGNDSSWAOLFN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)c(c2)C(=O)O

Properties

Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.037g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.18g/mol
Monoisotopic Mass:
220.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Literature

Title Journal
Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells. Bioorganic & medicinal chemistry 20131115
Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. European journal of medicinal chemistry 20111001
Small changes in the primary structure of transportan 10 alter the thermodynamics and kinetics of its interaction with phospholipid vesicles. Biochemistry 20080304

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