3-Acetoxy-O-toluic acid
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- logP
- 1.62Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
168899-58-9SMILES
CC1=C(C=CC=C1OC(=O)C)C(=O)OInChIKey
LHVJUPHCLWIPLZ-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c1-6-8(10(12)13)4-3-5-9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-Acetoxy-2-methylbenzoic acid
Work with 3-Acetoxy-O-toluic acid
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds