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2555-29-5,MFCD00100602
Catalog No.:AA003NEG
2555-29-5 | 8-Acetyl-7-hydroxy-4-methylcoumarin
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Technical Information
Catalog Number:
AA003NEG
Chemical Name:
8-Acetyl-7-hydroxy-4-methylcoumarin
CAS Number:
2555-29-5
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD00100602
IUPAC Name:
8-acetyl-7-hydroxy-4-methylchromen-2-one
InChI:
InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3
InChI Key:
WZOMQVFUPMLOGT-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)c(C(=O)C)c(cc2)O
UNII:
0084XV5Z4C
NSC Number:
19027
Properties
Computed 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:
1.7  

Synonyms
 
8-acetyl-7-hydroxy-4-methylcoumarin 
2555-29-5 
8-acetyl-7-hydroxy-4-methylchromen-2-one 
UNII-0084XV5Z4C 
WZOMQVFUPMLOGT-UHFFFAOYSA-N 
0084XV5Z4C 
2H-1-Benzopyran-2-one,8-acetyl-7-hydroxy-4-methyl- 
2H-1-Benzopyran-2-one, 8-acetyl-7-hydroxy-4-methyl- 
8-acetyl-7-hydroxy-4-methyl-2-oxochromene 
NSC19027 
AC1NT5FG 
AC1Q1JJS 
8-Acetyl-7-hydroxy-4-methylcoumarin 
ACMC-1CQ8F 
AC1Q1JI7 
CBDivE_010499 
4-18-00-01545 (Beilstein Handbook Reference) 
SCHEMBL4383562 
CHEMBL1784035 
CTK4F6019 
ZINC40588 
7-ACETYL-4-UMBELLIFERONE 
DTXSID30180243 
8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one 
4-Methyl-7-hydroxy-8-acetocoumarin 
ANW-25756 
MFCD00100602 
NSC-19027 
SBB043779 
STL389364 
4-methyl-7-hydroxy-8-acetyl-coumarin 
AKOS000274510 
8-Acetyl-7-Hydroxy-4-Methyl Coumarin 
CCG-235168 
8-Acetyl-4-methylumbelliferone 
MCULE-5481362994 
KS-000016B3 
BAS 00722037 
LS-55094 
PS-11165 
ZB001229 
TR-011649 
FT-0659654 
ST45144277 
EN300-06371 
COUMARIN, 8-ACETYL-7-HYDROXY-4-METHYL- 
8-ethanoyl-4-methyl-7-oxidanyl-chromen-2-one 
8-acetyl-7-hydroxy-4-methyl-1-benzopyran-2-one 
8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one # 
A817899 
8-acetyl-7-hydroxy-4-methyl-2h-1-benzopyran-2-one 
A1-03164 
S14-1315 
Z56924499 
InChI=1/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H 
C12-H10-O4 
8-Acetyl-7-hydroxy-4-methyl-chromen-2-one 
CID5324648 
A1848 
4-Methyl-7-hydroxy-8-acetylcoumarin 
NSC 19027 
BRN 0195795 
Literature

Title: Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action.

Journal: Bioorganic & medicinal chemistry 20120915

Title: 8-Acetyl-4-methyl-2-oxo-2H-chromen-7-yl acetate.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Co(II), Ni(II) and Cu(II) complexes with coumarin-8-yl Schiff-bases: spectroscopic, in vitro antimicrobial, DNA cleavage and fluorescence studies.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901

Title: Synthesis and pharmacological activity of O-aminoalkyl derivatives of 7-hydroxycoumarin.

Journal: European journal of medicinal chemistry 20110601

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