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Home Other Building Blocks Isopropyl benzoate

Isopropyl benzoate

CAS No.:
939-48-0
Catalog Number:
AG00GS21
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$36
- +
5g
95%
In Stock USA
United States
$54
- +
25g
95%
In Stock USA
United States
$132
- +
100g
95%
In Stock USA
United States
$414
- +
Product Description
Catalog Number:
AG00GS21
Chemical Name:
Isopropyl benzoate
CAS Number:
939-48-0
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00048289
IUPAC Name:
propan-2-yl benzoate
InChI:
InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
FEXQDZTYJVXMOS-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccccc1)C
EC Number:
213-361-6
UNII:
1Q2618834N
FEMA Number:
2932
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Investigation of steric and functionality limits in the enzymatic dihydroxylation of benzoate esters. Versatile intermediates for the synthesis of pseudo-sugars, amino cyclitols, and bicyclic ring systems. Organic & biomolecular chemistry 20090621
Properties