Free Chemical Databases
-
[Synonyms]
NSC36243
4811-92-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 169.17784 [g/mol] Molecular Formula C8H11NO3 XLogP 0.7 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 169.073893 MonoIsotopic Mass 169.073893 Topological Polar Surface Area 51.5 Heavy Atom Count 12 Formal Charge 0 Complexity 149 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl N-(furan-2-ylmethyl)carbamate
Canonical SMILES: CCOC(=O)NCC1=CC=CO1
InChI: InChI=1/C8H11NO3/c1-2-11-8(10)9-6-7-4-3-5-12-7/h3-5H,2,6H2,1H3,(H,9,
10)/f/h9H
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