2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)

C₇H₁₂O₃CAS 233276-38-5144.17 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₇H₁₂O₃
Molar mass: 144.17 g/mol
Exact mass: 144.0786 Da
logP: 0.89Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

233276-38-5

SMILES

CC1(CCOCC1)C(=O)O

InChIKey

VZWFVINYTCLXGC-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O3/c1-7(6(8)9)2-4-10-5-3-7/h2-5H2,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

4-Methyloxane-4-carboxylic acid

Work with 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)

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

1-Methylcyclopropanecarboxylic acid6914-76-771 % similar 1-Methylcyclobutanecarboxylic acid32936-76-865 % similar 1-Methylcyclohexanecarboxylic acid1123-25-763 % similar 3-Methyl-3-oxetanecarboxylic Acid28562-68-763 % similar Dimethylolpropionic acid4767-03-754 % similar 4-Fluorooxane-4-carboxylic acid1150617-62-153 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-453 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Ethyl 3-methyl-2-oxobutanoate20201-24-5 Butyl pyruvate20279-44-1

Elsewhere

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