Hexahydro-2,5-methanopentalene-3A(1H)-carboxylic acid

C₁₀H₁₄O₂CAS 16200-53-6166.22 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid

Properties

Molecular formula: C₁₀H₁₄O₂
Molar mass: 166.22 g/mol
Exact mass: 166.0994 Da
Melting point: 103–105 °C
logP: 1.90Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

16200-53-6

SMILES

O=C(O)C12CC3CC(CC1C3)C2

InChIKey

RXUUYFUQAGICCD-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)

Weigh it out

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

Names and synonyms

3 names

2,5-Methanopentalene-3a(1H)-carboxylic acid, hexahydro-
3-Noradamantanecarboxylic acid
Tricyclo[3.3.1.03,7]nonane-3-carboxylic acid

Work with Hexahydro-2,5-methanopentalene-3A(1H)-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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 4-Butylresorcinol18979-61-8 3-Butoxyphenol18979-72-1

Elsewhere

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