Home Other Building Blocks 10171-92-3
10171-92-3,MFCD00671564
Catalog No.:AA000576
10171-92-3 | (S)-(+)-2-Methylglutaric acid dimethyl ester
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5g
>97.0%(GC)
1 week  
$376.00   $263.00
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Technical Information
Catalog Number:
AA000576
Chemical Name:
(S)-(+)-2-Methylglutaric acid dimethyl ester
CAS Number:
10171-92-3
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD00671564
IUPAC Name:
dimethyl (2S)-2-methylpentanedioate
InChI:
InChI=1S/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3/t6-/m0/s1
InChI Key:
ZWKKRUNHAVNSFW-LURJTMIESA-N
SMILES:
COC(=O)CC[C@@H](C(=O)OC)C
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
10171-92-3 
Dimethyl (S)-(+)-2-Methylglutarate 
MFCD00671564 
AKOS015840170 
KS-0000122S 
(S)-2-Methylglutaric acid dimethyl ester 
TR-000424 
M1230 
J-000485 
I14-37288 
UNII-728OFW5M9G component ZWKKRUNHAVNSFW-LURJTMIESA-N 
CID11052138 
(S)-Dimethyl 2-methylpentanedioate 
Glutaric acid, 2-methyl-, dimethyl ester 
(S)-(+)-2-Methylglutaric Acid Dimethyl Ester 
Pentanedioic acid,2-methyl-, 1,5-dimethyl ester, (2S)- 
CTK4A0154 
DTXSID80453378 
ZINC2567311 
ANW-14516 
Dimethyl(S)-(+)-2-Methylglutarate 
Literature
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