Home Other Building Blocks Benzoic acid, 3,5-diethoxy-, methyl ester

Benzoic acid, 3,5-diethoxy-, methyl ester

CAS No.:
198623-55-1
Catalog Number:
AG002BN2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$102
- +
250mg
95%
In Stock USA
United States
$185
- +
1g
95%
In Stock USA
United States
$370
- +
5g
95%
In Stock USA
United States
$1109
- +
Product Description
Catalog Number:
AG002BN2
Chemical Name:
Benzoic acid, 3,5-diethoxy-, methyl ester
CAS Number:
198623-55-1
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD12025085
IUPAC Name:
methyl 3,5-diethoxybenzoate
InChI:
InChI=1S/C12H16O4/c1-4-15-10-6-9(12(13)14-3)7-11(8-10)16-5-2/h6-8H,4-5H2,1-3H3
InChI Key:
TWYWKJRUBYVESZ-UHFFFAOYSA-N
SMILES:
CCOc1cc(OCC)cc(c1)C(=O)OC
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties