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16555-98-9 | 2H-1-Benzopyran-2-one, 6-acetyl-7-hydroxy-4-methyl-
CAS No: 16555-98-9 Catalog No: AG001W7X MDL No:MFCD00585766
Product Description
Catalog Number:
AG001W7X
Chemical Name:
2H-1-Benzopyran-2-one, 6-acetyl-7-hydroxy-4-methyl-
CAS Number:
16555-98-9
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD00585766
IUPAC Name:
6-acetyl-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C12H10O4/c1-6-3-12(15)16-11-5-10(14)9(7(2)13)4-8(6)11/h3-5,14H,1-2H3
InChI Key:
AYAFDQIOLUUJHW-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)cc(c(c2)C(=O)C)O
NSC Number:
749197
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological activity of O-aminoalkyl derivatives of 7-hydroxycoumarin. | European journal of medicinal chemistry 20110601 |
| 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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