6-Isoquinolinecarboxylic acid
Properties
- Molecular formula
- C10H7NO2
- Molar mass
- 173.17 g/mol
- Exact mass
- 173.0477 Da
- Melting point
- 355–360 °C
- logP
- 1.93Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% 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
106778-43-2SMILES
O=C(O)c1ccc2cnccc2c1InChIKey
ADAHADRJWVCICR-UHFFFAOYSA-NInChI
InChI=1S/C10H7NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-6H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Isoquinoline-6-carboxylic acid
Work with 6-Isoquinolinecarboxylic acid
Similar compounds
2,6-Naphthalenedicarboxylic acid1141-38-469 % similar
2-Naphthoic acid93-09-461 % similar
2-Anthracenecarboxylic acid613-08-159 % similar
Quinazoline-6-carboxylic acid676326-53-758 % similar
6-Hydroxy-2-naphthoic acid16712-64-457 % similar
6-Amino-2-naphthoic acid116668-47-456 % similar
6-Fluoro-2-naphthoic acid5043-01-656 % similar
6-Bromo-2-naphthalenecarboxylic acid5773-80-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds