Free Chemical Databases
-
[Synonyms]
NSC402141
7462-64-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 179.21572 [g/mol] Molecular Formula C10H13NO2 XLogP 0.9 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 4 Tautomer Count 2 Exact Mass 179.094629 MonoIsotopic Mass 179.094629 Topological Polar Surface Area 52.3 Heavy Atom Count 13 Formal Charge 0 Complexity 164 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(phenylmethoxy)propanamide
Canonical SMILES: CC(C(=O)N)OCC1=CC=CC=C1
InChI: InChI=1/C10H13NO2/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,
11,12)/f/h11H2
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