9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
Basic information
- CAS
73818-29-8- Standard SMILES
CC(=O)c1nc(C(=O)O)cc2c1[nH]c1ccccc12- InChIKey
RMLMLEMGHAUXDM-UHFFFAOYSA-N- Molecular formula
- C14H10N2O3
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.06914219
Names & identifiers
- Preferred name
- 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
- IUPAC
- 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
Names & synonyms
73818-29-89H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-DTXSID80224262RefChem:313710DTXCID801467531-acetyl-9H-pyrido[3,4-b]indole-3-carboxylic acid1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acidEQ21-acetyl-beta-carboline-3-carboxylic acidCHEMBL1682930SCHEMBL26943206
Database identifiers
- CAS
73818-29-8- PubChem CID
- 5488588
- DTXSID
DTXSID80224262- ChEMBL
CHEMBL1682930- EC Number
- 180-076-0
- Nikkaji
- J2.380.309G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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