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525-52-0 | Benzene-1,2,3-triyl triacetate
CAS No: 525-52-0 Catalog No: AG003DAQ MDL No:MFCD00017220
Product Description
Catalog Number:
AG003DAQ
Chemical Name:
Benzene-1,2,3-triyl triacetate
CAS Number:
525-52-0
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
MDL Number:
MFCD00017220
IUPAC Name:
(2,3-diacetyloxyphenyl) acetate
InChI:
InChI=1S/C12H12O6/c1-7(13)16-10-5-4-6-11(17-8(2)14)12(10)18-9(3)15/h4-6H,1-3H3
InChI Key:
AQGLTPNHAAVOKN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(cccc1OC(=O)C)OC(=O)C
EC Number:
208-374-9
UNII:
4TMC1R26A5
NSC Number:
24068
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.222g/mol
Monoisotopic Mass:
252.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| 4,6-Dinitro-pyrogallol. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| (1S,4S,5S,8R)-8-Nitro-oxy-2,6-dioxa-bicyclo-[3.3.0]octan-4-yl 3,4,5-triacetoxy-benzoate. | Acta crystallographica. Section E, Structure reports online 20091101 |
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