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The molecular formula is C14H17NO2.
The molecular weight is 231.29 g/mol.
The IUPAC name is [(1S,2S)-2-isocyanatocyclohexyl]oxymethylbenzene.
The InChI is InChI=1S/C14H17NO2/c16-11-15-13-8-4-5-9-14(13)17-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-10H2/t13-,14-/m0/s1.
The InChIKey is HWVZRVVQFLEXHN-KBPBESRZSA-N.
The Canonical SMILES is C1CCC(C(C1)N=C=O)OCC2=CC=CC=C2.
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.
It has 4 rotatable bond counts.
The topological polar surface area is 38.7Ų.
(2-Benzo[1,3]dioxol-5-yl-2-oxo-ethyl)-carbamic acid tert-butyl ester
1,3-Dihydro-isoindole-1,2-dicarboxylic acid 2-tert-butyl ester
(1R,2R)-(-)-2-Benzyloxycyclohexyl isocyanate
Ethyl 2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
4-Methoxy-2-methyldiphenylamine
Ethyl 2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylate
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