| CAS Number | 150535-14-1 |
| Catalog Number | AG01C5MZ(AGN-PC-0A0C72) |
| Chemical Name | Methyl 2-(2,3-dihydro-1H-indol-2-yl)acetate |
| IUPAC Name | methyl 2-(2,3-dihydro-1H-indol-2-yl)acetate |
| InChI | InChI=1S/C11H13NO2/c1-14-11(13)7-9-6-8-4-2-3-5-10(8)12-9/h2-5,9,12H,6-7H2,1H3 |
| InChI Key | IAINXEYLEMFBPF-UHFFFAOYSA-N |
| MDL Number | MFCD20545893 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | O=C(OC)CC1NC2=C(C=CC=C2)C1 |
| Synonyms | Methyl 2-(2,3-dihydro-1H-indol-2-yl)acetate,
150535-14-1,
1H-Indole-2-acetic acid, 2,3-dihydro-, methyl ester,
SCHEMBL8905113,
CID9990119,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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