| CAS Number | 293737-30-1 |
| Catalog Number | AG00BTC0(AGN-PC-0WR6ZH) |
| Chemical Name | methyl (2R)-2,3-dihydro-1H-indole-2-carboxylate |
| IUPAC Name | methyl (2R)-2,3-dihydro-1H-indole-2-carboxylate |
| InChI | InChI=1S/C10H11NO2/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h2-5,9,11H,6H2,1H3/t9-/m1/s1 |
| InChI Key | URORFKDEPJFPOV-SECBINFHSA-N |
| MDL Number | MFCD16037973 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | COC([C@@H]1NC2=C(C=CC=C2)C1)=O |
| Synonyms | 293737-30-1,
methyl (2R)-2,3-dihydro-1H-indole-2-carboxylate,
AC1OG6UF,
SCHEMBL3989086,
ZINC4271863,
(2R)-2,3-Dihydro-1H-indole-2-carboxylic acid methyl ester,
1H-Indole-2-carboxylicacid,2,3-dihydro-,methylester,(2R)-(9CI),
(R)-methyl indoline-2-carboxylate,
ZINC04271863,
CID7162182,
1H-Indole-2-carboxylic acid, 2,3-dihydro-, methyl ester, (2R)- (9CI),
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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