3-Cyano-7-ethoxycoumarin
Properties
- Molecular formula
- C12H9NO3
- Molar mass
- 215.21 g/mol
- Exact mass
- 215.0582 Da
- logP
- 2.06Crippen estimate
- Polar surface area
- 63.2 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% 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 41 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
117620-77-6SMILES
CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C#NInChIKey
YAFGHMIAFYQSCF-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Cyano-7-ethoxycoumarin
Similar compounds
3-Cyano-7-hydroxycoumarin19088-73-458 % similar
3-Cyanocoumarin15119-34-356 % similar
7-Ethoxycoumarin31005-02-456 % similar
4-Ethoxybenzonitrile25117-74-243 % similar
2-Ethoxynaphthalene93-18-543 % similar
3-Ethoxybenzonitrile25117-75-343 % similar
7-Ethoxy-4-methylcoumarin87-05-842 % similar
4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-540 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.