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1472624-85-3 | 2H-1-Benzopyran-3-carboxylic acid, 7-[methyl(phenylmethyl)amino]-2-oxo-
CAS No: 1472624-85-3 Catalog No: AG001EQN MDL No:
Product Description
Catalog Number:
AG001EQN
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 7-[methyl(phenylmethyl)amino]-2-oxo-
CAS Number:
1472624-85-3
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C18H15NO4/c1-19(11-12-5-3-2-4-6-12)14-8-7-13-9-15(17(20)21)18(22)23-16(13)10-14/h2-10H,11H2,1H3,(H,20,21)
InChI Key:
XTKDQPFUOFAMRL-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)Cc1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells. | Bioorganic & medicinal chemistry 20131115 |
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