| CAS Number | 62995-59-9 |
| Catalog Number | AG00F5N9(AGN-PC-0T6TF2) |
| Chemical Name | methyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate |
| IUPAC Name | methyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate |
| InChI | InChI=1S/C12H11NO3/c1-7-10(11(14)12(15)16-2)8-5-3-4-6-9(8)13-7/h3-6,13H,1-2H3 |
| InChI Key | YTOHHVFNEWVONJ-UHFFFAOYSA-N |
| MDL Number | MFCD01925061 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | COC(C(C1C2=C(C=CC=C2)NC=1C)=O)=O |
| Synonyms | 62995-59-9,
methyl (2-methyl-1H-indol-3-yl)(oxo)acetate,
methyl 2-(2-methyl-1H-indol-3-yl)-2-oxoacetate,
(2-methyl-1H-indol-3-yl)oxoacetic acid methyl ester,
AC1NLQK5,
AC1Q41MH,
SCHEMBL4561758,
CTK5B6971,
DTXSID30407083,
ZINC4206480,
AKOS009003337,
MCULE-8174993289,
NE40535,
EN300-13354,
Z90122121,
METHYL ACETATE,
ZINC04206480,
CID4962387,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number