2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
Basic information
- CAS
435345-19-0- Standard SMILES
CC(C(=O)O)n1cnc2ccccc2c1=O- InChIKey
AOIOGRLXASIYJK-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3
- Average molar mass
- 218.21 g/mol
- Monoisotopic mass
- 218.06914219
Names & identifiers
- Preferred name
- 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
- IUPAC
- 2-(4-oxoquinazolin-3-yl)propanoic acid
- English name
- 2-(4-Oxo-4H-quinazolin-3-yl)-propionic acid
- Molecular formula
- C11H10N2O3
- Molecular weight
- 218.21
Names & synonyms
2-(4-oxoquinazolin-3(4H)-yl)propanoic acid435345-19-0DTXSID60389808RefChem:252793DTXCID9034066961381-36-02-(4-oxoquinazolin-3-yl)propanoic acid2-(4-Oxo-4H-quinazolin-3-yl)-propionic acidMFCD02363436CHEMBL45377702-(4-oxo-3(4H)-quinazolinyl)propanoic acid2-(4-oxo-3,4-dihydroquinazolin-3-yl)propanoic acid
Show more names
ZERENEX E/5111309CHEMBRDG-BB 4001975
3(4H)-quinazolineacetic acid, alpha-methyl-4-oxo-2-(4-oxo-3-hydroquinazolin-3-yl)propanoic acid2-(4-Oxo-4H-quinazolin-3-yl)-propionic acidhydrochlorideOprea1_210822Oprea1_2666612-(4-OXO-4H-QUINAZOLIN-3-YL)-PROPANOIC ACIDSCHEMBL27589134ALBB-012757
Database identifiers
- CAS
435345-19-0- PubChem CID
- 3145451
- DTXSID
DTXSID60389808- ChEMBL
CHEMBL4537770
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06,GHS02
- Signal word
- Danger
- Hazard statements
- 311 · H311-H332-H315+H320-H317-H226
- Precautionary statements
- 501 · P501-P261-P272-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P333+P313-P304+P340+P312-P403+P235-P405
- 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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS02
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H311-H332-H315+H320-H317-H226
- Precautionary statements
- P501-P261-P272-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P333+P313-P304+P340+P312-P403+P235-P405
Suppliers
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Related reactions
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Compound notes
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