Home Other Building Blocks Vanillin isobutyrate

Vanillin isobutyrate

CAS No.:
20665-85-4
Catalog Number:
AG002IL0
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$144
- +
25g
>98.0%(GC)
1 week
United States
$174
- +
Product Description
Catalog Number:
AG002IL0
Chemical Name:
Vanillin isobutyrate
CAS Number:
20665-85-4
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00169858
IUPAC Name:
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
InChI:
InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
InChI Key:
BGKAKRUFBSTALK-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OC(=O)C(C)C
EC Number:
243-956-6
UNII:
C55654RCNR
FEMA Number:
3754
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties