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127704-15-8 | 2H-1,3-Oxazin-2-one, 3-butyltetrahydro-6-phenyl-
CAS No: 127704-15-8 Catalog No: AG000XBE MDL No:
Product Description
Catalog Number:
AG000XBE
Chemical Name:
2H-1,3-Oxazin-2-one, 3-butyltetrahydro-6-phenyl-
CAS Number:
127704-15-8
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
3-butyl-6-phenyl-1,3-oxazinan-2-one
InChI:
InChI=1S/C14H19NO2/c1-2-3-10-15-11-9-13(17-14(15)16)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChI Key:
GRECCVMRDXUVDV-UHFFFAOYSA-N
SMILES:
CCCCN1CCC(OC1=O)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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