| CAS Number | 53481-05-3 |
| Catalog Number | AG0039GP(AGN-PC-0JCZ84) |
| Chemical Name | 2-EThylglutaric acid dimethyl ester |
| IUPAC Name | dimethyl 2-ethylpentanedioate |
| InChI | InChI=1S/C9H16O4/c1-4-7(9(11)13-3)5-6-8(10)12-2/h7H,4-6H2,1-3H3 |
| InChI Key | UTUQNPLMHJIJDM-UHFFFAOYSA-N |
| MDL Number | MFCD18970620 |
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.2209 |
| SMILES | COC(C(CCC(=O)OC)CC)=O |
| Synonyms | 2-Ethylglutaric acid dimethyl ester,
Dimethyl 2-ethylpentanedioate,
53481-05-3,
AC1LBFGI,
Pentanedioic acid, 2-ethyl-, dimethyl ester, (S)-,
ACMC-20n20s,
SCHEMBL9509840,
Dimethyl 2-ethylpentanedioate #,
CTK6J2119,
UTUQNPLMHJIJDM-UHFFFAOYSA-N,
143008-53-1,
Dimethyl 2-ethylpentane-1,5-dioate,
MFCD18970620,
AKOS030227965,
KS-000000J9,
CID581802,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.223g/mol |
| Monoisotopic Mass | 188.105g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number