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28648-21-7 | 4H-Indeno[5,6-c]isoxazole
CAS No: 28648-21-7 Catalog No: AG002VZC MDL No:
Product Description
Catalog Number:
AG002VZC
Chemical Name:
4H-Indeno[5,6-c]isoxazole
CAS Number:
28648-21-7
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
4H-cyclopenta[f][2,1]benzoxazole
InChI:
InChI=1S/C10H7NO/c1-2-7-4-9-6-12-11-10(9)5-8(7)3-1/h1-3,5-6H,4H2
InChI Key:
WTAPDKIXESVJOI-UHFFFAOYSA-N
SMILES:
C1=CC2=Cc3c(CC2=C1)con3
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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