CAS
949898-81-1 Purity
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949898-81-1 Purity
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Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
CAS
94994-15-7
Catalog Number
ACM94994157
Category
Other Products
Molecular Weight
198.258820 [g/mol]
Molecular Formula
C11H18O3
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Specification
Synonyms
94994-15-7, methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate, 4-Hydroxymethyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester, SureCN10164849, CTK8B9666, MolPort-019-878-740, ANW-62862, AKOS015851378, AK101586, BD233125, KB-39189, FT-0693553, A25965, S14-1852
IUPAC Name
methyl 1-(hydroxymethyl)bicyclo[2.2.2]octane-4-carboxylate
Canonical SMILES
COC(=O)C12CCC(CC1)(CC2)CO
InChI Key
CNDFZCWNUACFHZ-UHFFFAOYSA-N
Boiling Point
274.1ºC at 760 mmHg
Flash Point
108.7ºC
Density
1.175g/cm³
Exact Mass
198.12600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The molecular formula is C11H18O3.
What is the molecular weight of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The molecular weight is 198.26 g/mol.
What is the IUPAC name of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The IUPAC name is methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate.
What is the InChI of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The InChI is InChI=1S/C11H18O3/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h12H,2-8H2,1H3.
What is the InChIKey of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The InChIKey is CNDFZCWNUACFHZ-UHFFFAOYSA-N.
What is the canonical SMILES of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The canonical SMILES is COC(=O)C12CCC(CC1)(CC2)CO.
What is the CAS number of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The CAS number is 94994-15-7.
What is the European Community (EC) number of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate?
The European Community (EC) number is 809-839-4.
Is methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate a canonicalized compound?
Yes, methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate is canonicalized.
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