| CAS Number | 1260383-46-7 |
| Catalog Number | AG00HISK(AGN-PC-0WD7CN) |
| Chemical Name | methyl7-methyl-1H-indole-4-carboxylate |
| IUPAC Name | methyl 7-methyl-1H-indole-4-carboxylate |
| InChI | InChI=1S/C11H11NO2/c1-7-3-4-9(11(13)14-2)8-5-6-12-10(7)8/h3-6,12H,1-2H3 |
| InChI Key | CKJRNSNZWAQOKP-UHFFFAOYSA-N |
| MDL Number | MFCD18381272 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | COC(=O)c1ccc(C)c2[nH]ccc12 |
| Synonyms | methyl 7-methyl-1H-indole-4-carboxylate,
1260383-46-7,
1H-Indole-4-carboxylicacid,7-methyl-,methylester,
SCHEMBL2589245,
CKJRNSNZWAQOKP-UHFFFAOYSA-N,
MFCD18381272,
ZINC96321330,
AKOS027254394,
SB15156,
methyl7-methyl-1H-indole-4-carboxylate,
7-Methyl-4-indolecarboxylic acid methyl ester,
W-1949,
1H-Indole-4-carboxylic acid, 7-methyl-, methyl ester,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number