Home Carbonyls Methyl 3-(4-methoxycarbonylphenyl)propionate

Methyl 3-(4-methoxycarbonylphenyl)propionate

CAS No.:
40912-11-6
Catalog Number:
AG003I4P
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97.0%(T)
1 week
United States
$270
- +
25g
>97.0%(T)
1 week
United States
$821
- +
Product Description
Catalog Number:
AG003I4P
Chemical Name:
Methyl 3-(4-methoxycarbonylphenyl)propionate
CAS Number:
40912-11-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00059305
IUPAC Name:
methyl 4-(3-methoxy-3-oxopropyl)benzoate
InChI:
InChI=1S/C12H14O4/c1-15-11(13)8-5-9-3-6-10(7-4-9)12(14)16-2/h3-4,6-7H,5,8H2,1-2H3
InChI Key:
MLKXCCLYRPKSBM-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(cc1)C(=O)OC
Properties
Complexity:
241  
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:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties