Basic information
- CAS
41489-78-5- Standard SMILES
CCOC(=O)c1cc(C=O)ccc1O- InChIKey
SUQKXSPBCYWEGU-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- Ethyl 5-formyl-2-hydroxybenzoate
- IUPAC
- ethyl 5-formyl-2-hydroxybenzoate
- English name
- 2-Hydroxy-5-formylbenzoic acid ethyl ester
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
ethyl 5-formyl-2-hydroxybenzoate41489-78-5RefChem:3443622-Hydroxy-5-formylbenzoic acid ethyl esterethyl5-formyl-2-hydroxybenzoateSCHEMBL4755004SUQKXSPBCYWEGU-UHFFFAOYSA-N5-Formylsalicylic acid ethyl esterDTXSID901301547ethyl 5-formyl-2-hydroxy-benzoates11640DA-06008
Show more names
5-Formyl-2-hydroxybenzoic acid ethyl esterBenzoic acid, 5-formyl-2-hydroxy-, ethyl ester
CS-0452282
Database identifiers
- CAS
41489-78-5- PubChem CID
- 18930679
- DTXSID
DTXSID901301547- Nikkaji
- J414.081H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 308.1 · 308.1±27.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 7.74 · 7.74±0.18(Predicted)
Chemistry & industry
Suppliers3 total
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
成都精致化诚生物科技有限公司028-028-37664989 15900794981 · [email protected]
Related reactions
5 records
Compound notes
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