Basic information
- CAS
6265-16-3- Standard SMILES
Cc1cc(C=O)cc(C(=O)O)c1O- InChIKey
AAOLKUONXGOAGA-UHFFFAOYSA-N- Molecular formula
- C9H8O4
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.04225873
Names & identifiers
- Preferred name
- 5-Formyl-3-methylsalicylic acid
- IUPAC
- 5-formyl-2-hydroxy-3-methylbenzoic acid
- English name
- 5-formyl-3-methylsalicylic acid
- Molecular formula
- C9H8O4
- Molecular weight
- 180.15742
Names & synonyms
5-formyl-2-hydroxy-3-methylbenzoic acid5-Formyl-3-methylsalicylic acid29J7XN99TWEINECS 228-431-1Benzoic acid, 5-formyl-2-hydroxy-3-methyl-DTXSID502117052-HYDROXY-3-METHYL-5-FORMYLBENZOIC ACID3-CARBOXY-4-HYDROXY-5-METHYLBENZALDEHYDERefChem:102682DTXCID40134196228-431-16265-16-3
Show more names
UNII-29J7XN99TWOprea1_539863SCHEMBL19841715-formyl-2-hydroxy-3-methylbenzoicacid3-Methyl-4-hydroxy-5-carboxybenzaldehydeDB-129339NS00035119EN300-651586
Database identifiers
- CAS
6265-16-3- PubChem CID
- 80438
- DTXSID
DTXSID50211705- UNII
- 29J7XN99TW
- EC Number
- 228-431-1
- Nikkaji
- J211.496H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 357.6 · 357.6±42.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- pka
- 2.65 · 2.65±0.14(Predicted)
- FDA UNII
- 29 J7XN99TW · 29J7XN99TW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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