| CAS Number | 3449-50-1 |
| Catalog Number | AG01BFCQ(AGN-PC-00FSNA) |
| Chemical Name | 8-Methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one |
| IUPAC Name | 8-methyl-2,3,4,9-tetrahydrocarbazol-1-one |
| InChI | InChI=1S/C13H13NO/c1-8-4-2-5-9-10-6-3-7-11(15)13(10)14-12(8)9/h2,4-5,14H,3,6-7H2,1H3 |
| InChI Key | MYXBAASANSTUBM-UHFFFAOYSA-N |
| MDL Number | MFCD16090101 |
| Molecular Formula | C13H13NO |
| Molecular Weight | 199.2484 |
| SMILES | O=C1C(NC3=C2C=CC=C3C)=C2CCC1 |
| Synonyms | 8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one,
3449-50-1,
8-methyl-2,3,4,9-tetrahydrocarbazol-1-one,
BBL032610,
STK928978,
ZINC36420442,
AKOS005659163,
MCULE-8625206108,
CS-0061212,
8-Methyl-2,3,4,9-tetrahydro-1H-carbazole-1-one,
Z2469690551,
CID11769501,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.253g/mol |
| Monoisotopic Mass | 199.1g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number