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79687-69-7 | Furo[3,4-d]isoxazol-4(2H)-one, tetrahydro-2,3-diphenyl-
CAS No: 79687-69-7 Catalog No: AG008LLU MDL No:
Product Description
Catalog Number:
AG008LLU
Chemical Name:
Furo[3,4-d]isoxazol-4(2H)-one, tetrahydro-2,3-diphenyl-
CAS Number:
79687-69-7
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
2,3-diphenyl-3,3a,6,6a-tetrahydrofuro[3,4-d][1,2]oxazol-4-one
InChI:
InChI=1S/C17H15NO3/c19-17-15-14(11-20-17)21-18(13-9-5-2-6-10-13)16(15)12-7-3-1-4-8-12/h1-10,14-16H,11H2
InChI Key:
QXQDFKMMBAPYOB-UHFFFAOYSA-N
SMILES:
O=C1OCC2C1C(c1ccccc1)N(O2)c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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