| CAS Number | 1313282-10-8 |
| Catalog Number | AG000VYC(AGN-PC-0WCYOE) |
| Chemical Name | (2s)-2-methyl-octahydroindole-2-carboxylic acid |
| IUPAC Name | (2S)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
| InChI | InChI=1S/C10H17NO2/c1-10(9(12)13)6-7-4-2-3-5-8(7)11-10/h7-8,11H,2-6H2,1H3,(H,12,13)/t7?,8?,10-/m0/s1 |
| InChI Key | WBAFZRWAQJBNFG-KTOWXAHTSA-N |
| MDL Number | MFCD11501418 |
| Molecular Formula | C10H17NO2 |
| Molecular Weight | 183.2475 |
| SMILES | C[C@]1(CC2CCCCC2N1)C(O)=O |
| Synonyms | (2S)-2-Methyl-octahydroindole-2-carboxylic acid,
(2S)-2-Methyloctahydro-1H-indole-2-carboxylic acid,
1313282-10-8,
DTXSID10705312,
FCH890588,
MFCD11501418,
AKOS006325870,
794499-96-0,
AS-38020,
AX8266886,
X-3500,
(2S)-2-Methyl-octahydro-indole-2-carboxylic acid,
1H-Indole-2-carboxylic acid, octahydro-2-methyl-, (2S)-,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.251g/mol |
| Monoisotopic Mass | 183.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number