Home Other Building Blocks Acetic acid, (4-acetyl-2-methylphenoxy)-, methyl ester

Acetic acid, (4-acetyl-2-methylphenoxy)-, methyl ester

CAS No.:
166953-80-6
Catalog Number:
AG001X1W
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001X1W
Chemical Name:
Acetic acid, (4-acetyl-2-methylphenoxy)-, methyl ester
CAS Number:
166953-80-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD11616251
IUPAC Name:
methyl 2-(4-acetyl-2-methylphenoxy)acetate
InChI:
InChI=1S/C12H14O4/c1-8-6-10(9(2)13)4-5-11(8)16-7-12(14)15-3/h4-6H,7H2,1-3H3
InChI Key:
CAOUTCDDAKSUJP-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1C)C(=O)C
Properties
Complexity:
262  
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:
1.8  
Properties