Gentisic acid ethanolamine
Basic information
- CAS
7491-35-2- Standard SMILES
NCCO.O=C(O)c1cc(O)ccc1O- InChIKey
AKTFIQYVASYRMU-UHFFFAOYSA-N- Molecular formula
- C9H13NO5
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.07937252
Names & identifiers
- Preferred name
- Gentisic acid ethanolamine
- IUPAC
- 2-aminoethanol;2,5-dihydroxybenzoic acid
Names & synonyms
GENTISIC ACID ETHANOLAMINE7491-35-2Gentisic acid ethanolamine saltPJL7EVT77GEthanol, 2-amino-, 2,5-dihydroxybenzoate (salt)RefChem:10857542-aminoethanol;2,5-dihydroxybenzoic acid2-aminoethanol; 2,5-dihydroxybenzoic acidUNII-PJL7EVT77G2-Aminoethan-1-ol 2,5-dihydroxybenzoateSCHEMBL2268173SCHEMBL29363478
Show more names
DTXSID602747602,5-Dihydroxybenzoic acid--2-aminoethan-1-ol (1/1)Q27286592
Database identifiers
- CAS
7491-35-2- PubChem CID
- 24101
- DTXSID
DTXSID60274760- UNII
- PJL7EVT77G
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 167
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Related reactions
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Compound notes
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