3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid
Basic information
- CAS
23690-80-4- Standard SMILES
O=C(O)CCn1c2c(c3ccccc31)CCCC2- InChIKey
HOLWINOWZVORSA-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.12592879
Names & identifiers
- Preferred name
- 3-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acid
- IUPAC
- 3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
- English name
- 9-(2-CARBOXYETHYL)-1,2,3,4-TETRAHYDROCARBAZOLE
- Molecular formula
- C15H17NO2
- Molecular weight
- 243.3
Names & synonyms
23690-80-43-(1,2,3,4-Tetrahydro-carbazol-9-yl)-propionic acidDTXSID10354667RefChem:273086DTXCID803057273-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanoic acid3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid3-(3,4-Dihydro-1H-carbazol-9(2H)-yl)propanoic acid3-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)propanoic acidMFCD006125453-(5,6,7,8,9-pentahydro-4aH-carbazol-9-yl)propanoic acid9h-carbazole-9-propanoic acid, 1,2,3,4-tetrahydro-
Show more names
AKOS BBS-00005864IFLAB-BB F0275-00419-(2-CARBOXYETHYL)-1,2,3,4-TETRAHYDROCARBAZOL9-(2-CARBOXYETHYL)-1,2,3,4-TETRAHYDROCARBAZOLE
CBMicro_003659Oprea1_369853Oprea1_600938MLS000523274SCHEMBL8773238CHEMBL1531040HMS2418K21ALBB-007359
Database identifiers
- CAS
23690-80-4- PubChem CID
- 778449
- DTXSID
DTXSID10354667- ChEMBL
CHEMBL1531040
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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