4-(4'-Formyl-3'-methoxyphenoxy)butyric acid
Properties
- Molecular formula
- C12H14O5
- Molar mass
- 238.24 g/mol
- Exact mass
- 238.0841 Da
- logP
- 1.75Crippen estimate
- Polar surface area
- 72.8 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 7
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
309964-23-6SMILES
COC1=C(C=CC(=C1)OCCCC(=O)O)C=OInChIKey
RHQAFYIBBWZTOI-UHFFFAOYSA-NInChI
InChI=1S/C12H14O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-(4-Formyl-3-methoxyphenoxy)butanoic acid
Work with 4-(4'-Formyl-3'-methoxyphenoxy)butyric acid
Similar compounds
4-(4-Formyl-3,5-dimethoxyphenoxy)butyric acid197304-21-576 % similar
4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid136849-75-766 % similar
2,4-Dimethoxybenzaldehyde613-45-655 % similar
4-Benzyloxy-2-methoxybenzaldehyde58026-14-553 % similar
4-Phenoxybutyric acid6303-58-849 % similar
4-Methoxybenzenebutanoic acid4521-28-247 % similar
3-(2,5-Dimethoxyphenyl)propionic acid10538-49-546 % similar
4-Hydroxy-2-methoxybenzaldehyde18278-34-746 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.