2,3,4,9-Tetrahydro-1H-carbazole-1-carboxylic acid
Basic information
- CAS
42497-46-1- Standard SMILES
O=C(O)C1CCCc2c1[nH]c1ccccc21- InChIKey
QFLIXPBSNSYURJ-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 2,3,4,9-Tetrahydro-1H-carbazole-1-carboxylic acid
- IUPAC
- 2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
- English name
- 2,3,4,9-Tetrahydro-1H-carbazole-1-carboxylic acid
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid42497-46-1DTXSID10587918RefChem:243973DTXCID10538682MFCD082734501,2,3,4,9-pentahydro-4aH-carbazolecarboxylic acidSCHEMBL2143575SBB014205STK689580AKOS001768986AKOS016347536
Show more names
TIMTEC-BB SBB0142051H-Carbazole-1-carboxylic acid, 2,3,4,9-tetrahydro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid(SALTDATA: FREE)
CCG-125411BS-37628ST0979461,2,3,4-tetrahydrocarbazole-1-carboxylicCS-0315988F3136922,3,4,9-tetrahydro-1H-carbazole-1-carboxylicacid2,3,4,9-Tetrahydro-1H-carbazole-1-carboxylic acid, AldrichCPR
Database identifiers
- CAS
42497-46-1- PubChem CID
- 16761997
- DTXSID
DTXSID10587918
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
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Related reactions
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Compound notes
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