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Home Other Building Blocks PHLOROGLUCINOL TRIACETATE

PHLOROGLUCINOL TRIACETATE

CAS No.:
2999-40-8
Catalog Number:
AG00BD2I
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
90%
1 week
United States
$102
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Product Description
Catalog Number:
AG00BD2I
Chemical Name:
PHLOROGLUCINOL TRIACETATE
CAS Number:
2999-40-8
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
MDL Number:
MFCD00017225
IUPAC Name:
(3,5-diacetyloxyphenyl) acetate
InChI:
InChI=1S/C12H12O6/c1-7(13)16-10-4-11(17-8(2)14)6-12(5-10)18-9(3)15/h4-6H,1-3H3
InChI Key:
CLWKAMVDWLTMKD-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)cc(c1)OC(=O)C
NSC Number:
16958
Properties
Complexity:
273  
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:
1.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Benzene-1,3,5-triyl triacetate. Acta crystallographica. Section E, Structure reports online 20091201
Benzene-1,3,5-triyl tris-(2,2-dimethyl-propanoate). Acta crystallographica. Section E, Structure reports online 20091201
Properties