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918945-67-2 | 3-Isoxazolecarboxamide, 4,5-dihydro-N-methyl-5-phenyl-
CAS No: 918945-67-2 Catalog No: AG006LRC MDL No:
Product Description
Catalog Number:
AG006LRC
Chemical Name:
3-Isoxazolecarboxamide, 4,5-dihydro-N-methyl-5-phenyl-
CAS Number:
918945-67-2
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
N-methyl-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C11H12N2O2/c1-12-11(14)9-7-10(15-13-9)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,14)
InChI Key:
BWQNUPWUVSNOKC-UHFFFAOYSA-N
SMILES:
CNC(=O)C1=NOC(C1)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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