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77580-75-7 | 4H-1,3-Oxazin-5(6H)-one, 4-ethyl-2-phenyl-
CAS No: 77580-75-7 Catalog No: AG005GPI MDL No:
Product Description
Catalog Number:
AG005GPI
Chemical Name:
4H-1,3-Oxazin-5(6H)-one, 4-ethyl-2-phenyl-
CAS Number:
77580-75-7
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
IUPAC Name:
4-ethyl-2-phenyl-4H-1,3-oxazin-5-one
InChI:
InChI=1S/C12H13NO2/c1-2-10-11(14)8-15-12(13-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChI Key:
LCVMRAYJCCZJCG-UHFFFAOYSA-N
SMILES:
CCC1N=C(OCC1=O)c1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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