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180464-87-3

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180464-87-3 Structure

180464-87-3 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
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 DetailBack Directory
[Spectrum Detail]

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