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88859-25-0 | 2H-Azuleno[8,1-cd]isoxazole(9CI)
CAS No: 88859-25-0 Catalog No: AG0049PE MDL No:
Product Description
Catalog Number:
AG0049PE
Chemical Name:
2H-Azuleno[8,1-cd]isoxazole(9CI)
CAS Number:
88859-25-0
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
3-oxa-2-azatricyclo[5.4.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
InChI:
InChI=1S/C10H7NO/c1-2-4-8-10-7(3-1)5-6-9(10)12-11-8/h1-6,11H
InChI Key:
ZEWNUKGLVBYQQB-UHFFFAOYSA-N
SMILES:
c1ccc2c3c(c1)ccc3o[nH]2
Properties
Complexity:
183
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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