Coumarin 343

C₁₆H₁₅NO₄CAS 55804-65-4285.30 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₆H₁₅NO₄
Molar mass: 285.30 g/mol
Exact mass: 285.1001 Da
logP: 2.19Crippen estimate
Polar surface area: 70.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% 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 inhaled50% 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, 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

55804-65-4

SMILES

O=C(O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

InChIKey

KCDCNGXPPGQERR-UHFFFAOYSA-N

InChI

InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-
2,3,6,7-Tetrahydro-11-oxo-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid
Coumarin 519
Coumarine 343
C 343
11-Oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid
10-Oxo-2,3,5,6-tetrahydro-1H,4H,10H-11-oxa-3a-aza-benzo[de]anthracene-9-carboxylic acid

Work with Coumarin 343

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Coumarin 33455804-67-673 % similar 2,3,6,7,10,11-Hexahydro-1H,5H-cyclopenta[3,4][1]benzopyrano[6,7,8-ij]quinolizin-12(9H)-one41175-45-555 % similar 6,8-Dibromo-2-oxo-2h-chromene-3-carboxylic acid3855-87-645 % similar 7-Diethylaminocoumarin-3-carboxylic acid50995-74-942 % similar Coumarin-3-carboxylic acid531-81-742 % similar Coumarin 15353518-18-641 % similar 7-Hydroxycoumarin-3-carboxylic acid779-27-139 % similar 6-Bromo-2-oxo-2H-chromene-3-carboxylic acid2199-87-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2R,3S)-N-Benzoyl-3-phenylisoserine132201-33-3 (R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid17609-52-8 Z-Phg-oh53990-33-3 trans-3-Benzyloxy-4-methoxy-beta-nitrostyrene63909-29-5 4-Benzyloxy-3-methoxy-omega-nitrostyrene63909-38-6 Dihydroavenanthramide D697235-49-7

Elsewhere

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