| CAS Number | 1955532-01-0 |
| Catalog Number | AG01C5LD |
| Chemical Name | 2-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-9-yl)acetic acid |
| IUPAC Name | 2-(6-methoxy-1,2,3,4-tetrahydrocarbazol-9-yl)acetic acid |
| InChI | InChI=1S/C15H17NO3/c1-19-10-6-7-14-12(8-10)11-4-2-3-5-13(11)16(14)9-15(17)18/h6-8H,2-5,9H2,1H3,(H,17,18) |
| InChI Key | ROJPTLYTGHUIHO-UHFFFAOYSA-N |
| MDL Number | MFCD29991417 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | COC1=CC2=C(N(C3=C2CCCC3)CC(O)=O)C=C1 |
| Synonyms | 2-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-9-yl)acetic acid,
1955532-01-0,
AKOS033919743,
ZINC390822198,
Z2465619920,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number