Basic information
- CAS
28484-36-8- Standard SMILES
O=C(O)Cc1ccc2[nH]c3c(c2c1)CCCC3- InChIKey
WKUQYQYAKHXMCL-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydrocarbazole-3-acetic acid
- IUPAC
- 2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
Names & synonyms
28484-36-85,6,7,8-Tetrahydrocarbazole-3-acetic acidJXE321YIT9Carbazole-3-acetic acid, 5,6,7,8-tetrahydro-NSC-117718AH-28351H-Carbazole-6-acetic acid, 2,3,4,9-tetrahydro-DTXSID20182711RefChem:101095DTXCID60105202AH 2835NSC 117718
Show more names
UNII-JXE321YIT92,3,4,9-TETRAHYDRO-1H-CARBAZOLE-6-ACETIC ACIDSCHEMBL18938362NSC1177185,7,8-Tetrahydrocarbazole-3-acetic acidCarbazole-3-acetic acid,6,7,8-tetrahydro-1H-Carbazole-6-acetic acid,3,4,9-tetrahydro-(2,3,4,9-Tetrahydro-1H-carbazol-6-yl)acetic acid
Database identifiers
- CAS
28484-36-8- PubChem CID
- 97356
- DTXSID
DTXSID20182711- UNII
- JXE321YIT9
- Nikkaji
- J326.185I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…