3,4-Dihydroisocoumarin
Properties
- Molecular formula
- C9H8O2
- Molar mass
- 148.16 g/mol
- Exact mass
- 148.0524 Da
- Density
- 1.203 g/mL (at 18.5 °C)
- Melting point
- 37–39 °C
- Boiling point
- 165 °C (at 16 Torr)
- logP
- 1.40Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4702-34-5SMILES
O=C1OCCc2ccccc21InChIKey
XVTAQSGZOGYIEY-UHFFFAOYSA-NInChI
InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1H-2-Benzopyran-1-one, 3,4-dihydro-
- Isocoumarin, 3,4-dihydro-
- 3,4-Dihydro-1H-2-benzopyran-1-one
- 1-Isochromanone
- 3,4-Dihydroisochromen-1-one
Work with 3,4-Dihydroisocoumarin
Similar compounds
Phthalide87-41-266 % similar
Dipropyl phthalate131-16-856 % similar
Phenethyl salicylate87-22-956 % similar
Bis(2-methoxyethyl) phthalate117-82-855 % similar
Dibutyl phthalate84-74-253 % similar
Phenylethyl benzoate94-47-352 % similar
Dipentyl phthalate131-18-051 % similar
Di-n-octyl phthalate117-84-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds