5-Norbornene-2,3-dimethanol

C₉H₁₄O₂CAS 85-39-2154.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄O₂
Molar mass: 154.21 g/mol
Exact mass: 154.0994 Da
Melting point: 82.8–83.4 °C
Boiling point: 144–162 °C (at 6.5 Torr)
logP: 0.41Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

85-39-2

SMILES

OCC1C2C=CC(C2)C1CO

InChIKey

IGHHPVIMEQGKNE-UHFFFAOYSA-N

InChI

InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2

Weigh it out

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

Names and synonyms

8 names

Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol
2,3-Bis(hydroxymethyl)-5-norbornene
5,6-Bis(hydroxymethyl)bicyclo[2.2.1]hept-2-ene
NSC 31985
5,6-Di(hydroxymethyl)bicyclo[2.2.1]hept-2-ene
Bicyclo[2.2.1]hept-5-ene-2,3-dimethylol
[3-(Hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methanol
[3-(Hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

Work with 5-Norbornene-2,3-dimethanol

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

Bicyclo(2.1.0)pent-2-ene5164-35-247 % similar Bicyclo[2.2.1]hept-5-ene-2-methanol95-12-544 % similar Dicyclopentadiene77-73-640 % similar 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-033 % similar (1S,4R)-4-Amino-2-cyclopentene-1-methanol136522-35-533 % similar 5-Norbornene-2,3-dicarboxylic acid3813-52-333 % similar 3a,4,7,7a-Tetrahydro-4,7-methano-2-benzofuran-1(3H)-one85718-44-133 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-332 % similar

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

Same formula

Norborn-2-ylacetic acid1007-01-8 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 7,7-Dimethoxybicyclo[2.2.1]hept-2-ene875-04-7

Elsewhere

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