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27271-35-8 | 4H-Indeno[2,1-d]isoxazole,3a,8b-dihydro-3-phenyl-
CAS No: 27271-35-8 Catalog No: AG007LBJ MDL No:
Product Description
Catalog Number:
AG007LBJ
Chemical Name:
4H-Indeno[2,1-d]isoxazole,3a,8b-dihydro-3-phenyl-
CAS Number:
27271-35-8
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
3-phenyl-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
InChI:
InChI=1S/C16H13NO/c1-2-6-11(7-3-1)15-14-10-12-8-4-5-9-13(12)16(14)18-17-15/h1-9,14,16H,10H2
InChI Key:
HAKVIJGZWVSZOJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NOC2C1Cc1c2cccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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