3-Formyl-4-hydroxybenzoic acid
Properties
- Molecular formula
- C8H6O4
- Molar mass
- 166.13 g/mol
- Exact mass
- 166.0266 Da
- logP
- 0.90Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed97.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction95.1% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
584-87-2SMILES
C1=CC(=C(C=C1C(=O)O)C=O)OInChIKey
NXZBZWZORYEIJL-UHFFFAOYSA-NInChI
InChI=1S/C8H6O4/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-4,10H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Hydroxy-5-formylbenzoic acid
Work with 3-Formyl-4-hydroxybenzoic acid
Similar compounds
4-Fluoro-3-formyl-benzoic acid845885-90-764 % similar
3-Bromo-4-formylbenzoic acid91760-66-664 % similar
Protocatechuic acid99-50-363 % similar
5-(2-Bromoacetyl)-2-hydroxybenzaldehyde115787-50-361 % similar
Methyl 3-formyl-4-hydroxybenzoate24589-99-959 % similar
4-Hydroxyisophthalic acid636-46-459 % similar
3-Bromo-4-hydroxybenzoic acid14348-41-556 % similar
3-Amino-4-hydroxybenzoic acid1571-72-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.