2H-Chromene-3-carboxylic acid

C₁₀H₈O₃CAS 22649-28-1176.17 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₈O₃
Molar mass: 176.17 g/mol
Exact mass: 176.0473 Da
logP: 1.55Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

22649-28-1

SMILES

C1C(=CC2=CC=CC=C2O1)C(=O)O

InChIKey

DEBZQUFVQZPPLC-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O3/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H,11,12)

Weigh it out

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

Work with 2H-Chromene-3-carboxylic acid

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

6-Chloro-2H-chromene-3-carboxylic acid83823-06-763 % similar 2H-1-Benzopyran-3-carboxaldehyde51593-69-251 % similar (2-Formylphenoxy)acetic acid6280-80-451 % similar 1,2-Phenylenedioxydiacetic acid5411-14-346 % similar Ethyl 2-(2-formylphenoxy)acetate41873-61-443 % similar (3E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid184360-97-243 % similar 3-(2-Ethoxyphenyl)-2-propenoic acid69038-81-941 % similar O-Bromophenoxyacetic acid1879-56-740 % similar

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

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 4-Hydroxy-6-methylcoumarin13252-83-0 4-Methoxycourmarin20280-81-3 3-(4-Formylphenyl)-2-propenoic acid23359-08-2 6-Hydroxy-4-methylcoumarin2373-31-1 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-1 3-Oxo-1-indancarboxylic acid29427-69-8

Elsewhere

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