9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
55762-24-8- Standard SMILES
O=C(O)c1ccc2c(=O)n3c(nc2c1)CCC3- InChIKey
OAPMUFFGYRXTNL-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
- IUPAC
- 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid
- English name
- 9-OXO-1,2,3,9-TETRAHYDRO-PYRROLO[2,1-B]QUINAZOLINE-6-CARBOXYLIC ACID
- Molecular formula
- C12H10N2O3
- Molecular weight
- 230.22
Names & synonyms
9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline-6-carboxylic acid9-oxo-1H,2H,3H,9H-pyrrolo(2,1-b)quinazoline-6-carboxylic acidRefChem:549871857-699-855762-24-89-Oxo-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline-6-carboxylic acid9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxylic acid9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylic acidMFCD046216969-OXO-1,2,3,9-TETRAHYDRO-PYRROLO[2,1-B]QUINAZOLINE-6-CARBOXYLICACIDCHEMBL40728SCHEMBL11087150
Show more names
Pyrrolo[2,1-b]quinazoline-6-carboxylic acid, 1,2,3,9-tetrahydro-9-oxo-
DTXSID00368470HMS1788G21EiM08-25323AKOS008967116DB-350953CS-0220271EN300-06233G58031
Database identifiers
- CAS
55762-24-8- PubChem CID
- 2394026
- DTXSID
DTXSID00368470- ChEMBL
CHEMBL40728- EC Number
- 857-699-8
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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