Basic information
- CAS
767304-83-6- Standard SMILES
Cc1ccc2oc(=O)n(CC(=O)O)c2c1- InChIKey
JJMSSIVSZNVZFE-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
- IUPAC
- 2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid
- English name
- (5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid(SALTDATA: FREE)
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18
Names & synonyms
767304-83-6(5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid(5-Methyl-2-oxo-benzooxazol-3-yl)-acetic acid2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid2-(5-methyl-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid(5-methyl-2-oxo-1,3-benzoxazol-3-yl)acetic acidF1707-00082-(5-methyl-2-oxo-3-hydrobenzoxazol-3-yl)acetic acidMLS000120582(5-methyl-2-oxobenzooxazol-3-yl)acetic acidSCHEMBL5289472CHEMBL1351955
Show more names
3(2H)-Benzoxazoleacetic acid, 5-methyl-2-oxo-(5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid(SALTDATA: FREE)
DTXSID90366708JJMSSIVSZNVZFE-UHFFFAOYSA-NHMS1703M03HMS2266M07SMSSF-00425742-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acidMFCD04358106SBB028123
Database identifiers
- CAS
767304-83-6- PubChem CID
- 2145484
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 421.3 · 421.3±55.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 3.87 · 3.87±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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