sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 1,2,4-Triacetoxybenzene

1,2,4-Triacetoxybenzene

CAS No.:
613-03-6
Catalog Number:
AG003DB3
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$57
- +
100g
95%
In Stock USA
United States
$182
- +
Product Description
Catalog Number:
AG003DB3
Chemical Name:
1,2,4-Triacetoxybenzene
CAS Number:
613-03-6
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
MDL Number:
MFCD00008700
IUPAC Name:
(3,4-diacetyloxyphenyl) acetate
InChI:
InChI=1S/C12H12O6/c1-7(13)16-10-4-5-11(17-8(2)14)12(6-10)18-9(3)15/h4-6H,1-3H3
InChI Key:
AESFGSJWSUZRGW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(c(c1)OC(=O)C)OC(=O)C
EC Number:
210-327-2
UNII:
903T7H7CP1
NSC Number:
2149
Properties
Complexity:
338  
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 of echinamines A and B, the first aminated hydroxynaphthazarins produced by the sea urchin Scaphechinus mirabilis and its analogues. Journal of natural products 20060801
Properties