180464-87-3

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180464-87-3 Structure

Identification	Back Directory
[Name] Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)
[CAS] 180464-87-3
[Synonyms] Methyl 3-(hydroxyMethyl)bicyclo[1.1.1]pentane-1-carboxylate methyl 1-(hydroxymethyl)bicyclo[1.1.1]pentane-3-carboxylate 3-Hydroxymethyl-bicyclo[1.1.1]pentane-1-carboxylic acid methyl ester Bicyclo[1.1.1]pentane-1-carboxylicacid, 3-(hydroxymethyl)-, methyl ester Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)
[Molecular Formula] C8H12O3
[MDL Number] MFCD23164154
[MOL File] 180464-87-3.mol
[Molecular Weight] 156.18

Chemical Properties	Back Directory
[Boiling point ] 212.3±13.0 °C(Predicted)
[density ] 1.352±0.06 g/cm3(Predicted)
[storage temp. ] Sealed in dry,Room Temperature
[form ] liquid
[pka] 15.16±0.10(Predicted)
[color ] Yellow
[InChI] 1S/C8H12O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h9H,2-5H2,1H3
[InChIKey] BYTLJVZXUYVJKN-UHFFFAOYSA-N
[SMILES] O=C(OC)C1(C2)CC2(CO)C1

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P280-P301+P312-P261
[HS Code ] 2918999090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Spectrum Detail	Back Directory
[Spectrum Detail] Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester (9CI)(180464-87-3)¹HNMR

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