Chromane-2-carboxylic acid

C₁₀H₁₀O₃CAS 51939-71-0178.19 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₀O₃
Molar mass: 178.19 g/mol
Exact mass: 178.0630 Da
logP: 1.46Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51939-71-0

SMILES

C1CC2=CC=CC=C2OC1C(=O)O

InChIKey

SFLFCQJQOIZMHF-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O3/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)

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

Names and synonyms

1 names

3,4-Dihydro-2H-1-benzopyran-2-carboxylic acid

Work with Chromane-2-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

2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-971 % similar 6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid99199-60-763 % similar 1,4-Benzodioxane-2-carboxylic acid34385-93-858 % similar 1,4-Benzodioxane-2-carboxylic acid3663-80-758 % similar (R)-1,4-Benzodioxane-2-carboxylic acid70918-53-558 % similar 2-Indancarboxylic acid25177-85-946 % similar 2-Phenoxybutanoic acid13794-14-445 % similar 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-445 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Methoxycinnamic acid17570-26-2 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 Methyl 4-hydroxycinnamate19367-38-5 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8

Elsewhere

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