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2-[4-(aminomethyl)cyclohexyl]-2-oxidanylidene-ethanal hydrate

2-[4-(aminomethyl)cyclohexyl]-2-oxidanylidene-ethanal hydrate

Systemtic Name:2-[4-(aminomethyl)cyclohexyl]-2-oxidanylidene-ethanal hydrate
Openeye Name:2-[4-(aminomethyl)cyclohexyl]-2-oxo-acetaldehyde hydrate
CAS Name:2-[4-(aminomethyl)cyclohexyl]-2-oxoacetaldehyde hydrate
IUPAC Name:2-[4-(aminomethyl)cyclohexyl]-2-oxoacetaldehyde hydrate
Traditional Name:2-[4-(aminomethyl)cyclohexyl]-2-keto-acetaldehyde hydrate
Formula: C9H17NO3
MolecularWeight: 187.23618
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)C=O.O


Isomeric SMILES

C1CC(CCC1CN)C(=O)C=O.O


InChI

InChI=1S/C9H15NO2.H2O/c10-5-7-1-3-8(4-2-7)9(12)6-11;/h6-8H,1-5,10H2;1H2


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