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40912-11-6,MFCD00059305
Catalog No.:AA003I1X
40912-11-6 | Methyl 3-(4-methoxycarbonylphenyl)propionate
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5g
>97.0%(T)
1 week  
$239.00   $167.00
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25g
>97.0%(T)
1 week  
$806.00   $564.00
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Technical Information
Catalog Number:
AA003I1X
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
Computed 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  

Synonyms
 
40912-11-6 
Methyl 4-(3-methoxy-3-oxopropyl)benzoate 
CTK1D4196 
DTXSID20344291 
ZINC2522775 
ANW-29527 
MFCD00059305 
AKOS027252967 
Methyl3-(4-Methoxycarbonylphenyl)propionate 
TC-118272 
Methyl 4-(3-methoxy-3-oxopropyl)benzoate # 
KS-00001296 
Methyl 3-(4-Methoxycarbonylphenyl)propionate 
3-(4-Carboxyphenyl)propionic Acid Dimethyl Ester 
4-(Methoxycarbonyl)hydrocinnamic acid methyl ester 
4-(2-Methoxycarbonylethyl)benzoic acid, methyl ester 
I14-94286 
c1029 
CID595759 
Benzenepropanoic acid, 4-(methoxycarbonyl)-, methyl ester 
MLKXCCLYRPKSBM-UHFFFAOYSA-N 
3-(p-Carboxyphenyl)propionic Acid Dimethyl Ester 
3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester 
ACMC-209jhl 
AC1LC7LL 
SCHEMBL2499088 
Literature
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