Norborn-2-ylacetic acid

C₉H₁₄O₂CAS 1007-01-8154.21 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₉H₁₄O₂
Molar mass: 154.21 g/mol
Exact mass: 154.0994 Da
Melting point: 95 °C
Boiling point: 91–92 °C (at 23 Torr)
logP: 1.90Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H303 May be harmful if swallowed33.3% of notifiers
H313 May be harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1007-01-8

SMILES

O=C(O)CC1CC2CCC1C2

InChIKey

FYHBMPWRHCWNBC-UHFFFAOYSA-N

InChI

InChI=1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)

Weigh it out

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

Names and synonyms

9 names

Bicyclo[2.2.1]heptane-2-acetic acid
2-Norbornaneacetic acid
2-Norbornylacetic acid
NSC 174059
2-(Bicyclo[2.2.1]hept-2-yl)acetic acid
Bicyclo[2.2.1]hept-2-ylacetic acid
2-(Bicyclo[2.2.1]heptan-2-yl)acetic acid
2-[Bicyclo[2.2.1]heptan-2-yl]acetic acid
2-(3-Bicyclo[2.2.1]heptanyl)acetic acid

Work with Norborn-2-ylacetic 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

Cyclopropylacetic acid5239-82-760 % similar Cyclopentaneacetic acid1123-00-850 % similar 3-Amino-3-cyclopropylpropanoic acid331633-72-850 % similar Bicyclo[2.2.1]heptane-2-carboxylic acid824-62-448 % similar Cyclohexaneacetic acid5292-21-748 % similar 3-Isobutylglutaric acid75143-89-445 % similar Tetrahydropyranyl-4-acetic acid85064-61-545 % similar Bicyclo[2.2.1]heptane-2-methanol5240-72-243 % similar

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

Same formula

4,4,5A-Trimethylperhydro-1-benzoxiren-2-one10276-21-8 Methyl 2-octynoate111-12-6 1-Methylcyclopentyl prop-2-enoate178889-49-1 Cyclohexyl acrylate3066-71-5 3,5,5-Trimethyl-1,2-cyclohexanedione57696-89-6 5-Norbornene-2,3-dimethanol85-39-2 7,7-Dimethoxybicyclo[2.2.1]hept-2-ene875-04-7

Elsewhere

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