1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid
Properties
- Molecular formula
- C9H6O4
- Molar mass
- 178.14 g/mol
- Exact mass
- 178.0266 Da
- logP
- 1.06Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation50% of notifiers
- H317 May cause an allergic skin reaction50% of notifiers
- H319 Causes serious eye irritation50% 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4792-29-4SMILES
O=C(O)c1ccc2c(c1)COC2=OInChIKey
QTWUWCFGWYYRRL-UHFFFAOYSA-NInChI
InChI=1S/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid
- 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-
- 5-Phthalancarboxylic acid, 1-oxo-
- 1,4-Benzenedicarboxylic acid, (hydroxymethyl)-, γ-lactone
- Phthalide-5-carboxylic acid
- 5-Carboxyphthalide
- 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid
Work with 1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid
Similar compounds
Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-563 % similar
5-Hydroxyphthalide55104-35-359 % similar
Trimellitic anhydride552-30-757 % similar
5-Bromophthalide64169-34-255 % similar
5-Aminophthalide65399-05-555 % similar
5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-154 % similar
5-Phenoxy-1(3H)-isobenzofuranone57830-14-554 % similar
Trimellitic acid528-44-951 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.