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Oprea1_869859,MLS001206673,N-Furan-2-ylmethyl-2-hydroxy-benzamide,ZINC

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摘 要:Oprea1_869859,MLS001206673,N-Furan-2-ylmethyl-2-hydroxy-benzamide,ZINC00035205,BAS 04850595,SMR000519096,A2613/0111091, N-(furan-2-ylmethyl)-2-hydroxybenzamide,Canonical SMILES: C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)O,InChI: InChI=1/C12H11NO3/c14-11-6-2-1-5
[Synonyms]
Oprea1_869859
MLS001206673
N-Furan-2-ylmethyl-2-hydroxy-benzamide
ZINC00035205
BAS 04850595
SMR000519096
A2613/0111091

[Structure]
Oprea1_869859,MLS001206673,N-Furan-2-ylmethyl-2-hydroxy-benzamide,ZINC

[ Properties Computed from Structure]
Molecular Weight217.22064 [g/mol]
Molecular FormulaC12H11NO3
XLogP2.1
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count7
Exact Mass217.073893
MonoIsotopic Mass217.073893
Topological Polar Surface Area62.5
Heavy Atom Count16
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(furan-2-ylmethyl)-2-hydroxybenzamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)O
InChI: InChI=1/C12H11NO3/c14-11-6-2-1-5-10(11)12(15)13-8-9-4-3-7-16-9/h1-7,14H,
8H2,(H,13,15)/f/h13H

 
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