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159339-68-1 | Oxazolo[2,3-c][1,4]oxazin-3(2H)-one, tetrahydro-2-phenyl-
CAS No: 159339-68-1 Catalog No: AG001QML MDL No:
Product Description
Catalog Number:
AG001QML
Chemical Name:
Oxazolo[2,3-c][1,4]oxazin-3(2H)-one, tetrahydro-2-phenyl-
CAS Number:
159339-68-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
2-phenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[2,3-c][1,4]oxazin-3-one
InChI:
InChI=1S/C12H13NO3/c14-12-11(9-4-2-1-3-5-9)16-10-8-15-7-6-13(10)12/h1-5,10-11H,6-8H2
InChI Key:
DRDLJBYTXHQDQF-UHFFFAOYSA-N
SMILES:
O=C1C(OC2N1CCOC2)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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