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209-16-5 | 3H-Naphth[1,8-cd]isoxazole
CAS No: 209-16-5 Catalog No: AG002K09 MDL No:
Product Description
Catalog Number:
AG002K09
Chemical Name:
3H-Naphth[1,8-cd]isoxazole
CAS Number:
209-16-5
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
IUPAC Name:
2-oxa-3-azatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaene
InChI:
InChI=1S/C10H7NO/c1-3-7-4-2-6-9-10(7)8(5-1)11-12-9/h1-4,6H,5H2
InChI Key:
WFRBCBHCUMWYTK-UHFFFAOYSA-N
SMILES:
C1=Cc2cccc3c2c(C1)no3
Properties
Complexity:
214
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:
2.5
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