| CAS Number | 1432682-04-6 |
| Catalog Number | AG01A53G(AGN-PC-0WO116) |
| Chemical Name | 6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-one |
| IUPAC Name | 6-methyl-1,2,4,9-tetrahydrocarbazol-3-one |
| InChI | InChI=1S/C13H13NO/c1-8-2-4-12-10(6-8)11-7-9(15)3-5-13(11)14-12/h2,4,6,14H,3,5,7H2,1H3 |
| InChI Key | CPHXFGFDYFXNFQ-UHFFFAOYSA-N |
| MDL Number | MFCD21188571 |
| Molecular Formula | C13H13NO |
| Molecular Weight | 199.2484 |
| SMILES | CC1=CC2=C(NC3=C2CC(=O)CC3)C=C1 |
| Synonyms | 6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-one,
1432682-04-6,
ZINC83722931,
AKOS014668907,
MCULE-3124541460,
NE25192,
Z1623871986,
|
| 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 | 2.1 |
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Certificate of Analysis
Lot Number