Methyl 4-cyanocubane-1-carboxylate

Name: Methyl 4-cyanocubane-1-carboxylate
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CAS No. 24539-26-2
Cat. No. CS-0092228
Molecule weight187.19
Purity≥98%
MDL No.MFCD29060141

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Methyl 4-cyanocubane-1-carboxylate|CS-0092228

Structure of 24539-26-2

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General Information

CAS No. 24539-26-2
Cat. No. CS-0092228
Purity ≥98%
MDL No. MFCD29060141
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₉NO₂
Molecular Weight 187.19
Synonym(s) Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1-carboxylic acid, 4-cyano-, methyl ester
SMILES O=C(OC)[C@]12[C@@H]3[C@H]4[C@@H]1[C@H]5[C@@H]2[C@@H]3[C@@]45C#N

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 50.09
LogP 0.42098
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Fatty ring compounds Cyclobutane compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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Methyl 4-cyanocubane-1-carboxylate

CAS No. 24539-26-2

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