Home Other Building Blocks 6,7-DIACETOXY-4-METHYLCOUMARIN

6,7-DIACETOXY-4-METHYLCOUMARIN

CAS No.:
55939-28-1
Catalog Number:
AG00DK75
Molecular Formula:
C14H12O6
Molecular Weight:
276.2415
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Product Description
Catalog Number:
AG00DK75
Chemical Name:
6,7-DIACETOXY-4-METHYLCOUMARIN
CAS Number:
55939-28-1
Molecular Formula:
C14H12O6
Molecular Weight:
276.2415
MDL Number:
MFCD00012339
IUPAC Name:
(7-acetyloxy-4-methyl-2-oxochromen-6-yl) acetate
InChI:
InChI=1S/C14H12O6/c1-7-4-14(17)20-11-6-13(19-9(3)16)12(5-10(7)11)18-8(2)15/h4-6H,1-3H3
InChI Key:
JMRACYBIVVGICX-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc2oc(=O)cc(c2cc1OC(=O)C)C
UNII:
ZS09RD1A9O
NSC Number:
688798
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.063g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.244g/mol
Monoisotopic Mass:
276.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
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
Properties