Home Other Building Blocks Benzal diacetate

Benzal diacetate

CAS No.:
581-55-5
Catalog Number:
AG003O0C
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>95.0%(GC)
1 week
United States
$157
- +
500g
>95.0%(GC)
1 week
United States
$945
- +
Product Description
Catalog Number:
AG003O0C
Chemical Name:
Benzal diacetate
CAS Number:
581-55-5
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD00059206
IUPAC Name:
[acetyloxy(phenyl)methyl] acetate
InChI:
InChI=1S/C11H12O4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7,11H,1-2H3
InChI Key:
XRYSDRCNTMEYFH-UHFFFAOYSA-N
SMILES:
CC(=O)OC(c1ccccc1)OC(=O)C
EC Number:
209-469-8
NSC Number:
7732
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties