Isoquinoline-1-carboxylic acid
Properties
- Molecular formula
- C10H7NO2
- Molar mass
- 173.17 g/mol
- Exact mass
- 173.0477 Da
- Melting point
- 246–248 °C
- logP
- 1.93Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation85.7% of notifiers
Aggregated from 7 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
486-73-7SMILES
O=C(O)c1nccc2ccccc12InChIKey
XAAKCCMYRKZRAK-UHFFFAOYSA-NInChI
InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1-Isoquinolinecarboxylic acid
- Isoquinaldic acid
- 1-Carboxyisoquinoline
- NSC 218351
Work with Isoquinoline-1-carboxylic acid
Similar compounds
2,3-Pyrazinedicarboxylic acid89-01-053 % similar
1-Naphthoic acid86-55-553 % similar
Quinolinic acid339155-13-451 % similar
Quinolinic acid89-00-951 % similar
4-Quinolinecarboxylic acid486-74-851 % similar
3-Bromopyridine-2-carboxylic acid30683-23-950 % similar
3-Hydroxypicolinic acid874-24-850 % similar
Isoquinoline-8-carboxylic acid61563-43-749 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds