| CAS Number | 185556-32-5 |
| Catalog Number | AG019MR2(AGN-PC-036YQO) |
| Chemical Name | 3-Methyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic Acid |
| IUPAC Name | 6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid |
| InChI | InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(16)17)13(9)15-12/h2-4,8,15H,5-7H2,1H3,(H,16,17) |
| InChI Key | YDECTAHOPWOBON-UHFFFAOYSA-N |
| MDL Number | MFCD06755866 |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.2744 |
| SMILES | CC1CCC=2NC3=C(C=CC=C3C2C1)C(=O)O |
| Synonyms | 3-methyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid,
185556-32-5,
AC1Q2QTV,
SCHEMBL6622873,
CTK6C0352,
YDECTAHOPWOBON-UHFFFAOYSA-N,
AKOS003617307,
AKOS016050706,
NE48089,
EN300-37023,
Z381357634,
6-methyl-5,6,7,8-tetrahydro-9H-carbazole-1-carboxylic acid,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.279g/mol |
| Monoisotopic Mass | 229.11g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number