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130201-75-1 | 2H-Isoxazolo[3,4,5-de]quinoline (9CI)
CAS No: 130201-75-1 Catalog No: AG000U5E MDL No:
Product Description
Catalog Number:
AG000U5E
Chemical Name:
2H-Isoxazolo[3,4,5-de]quinoline (9CI)
CAS Number:
130201-75-1
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
IUPAC Name:
2-oxa-3,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
InChI:
InChI=1S/C9H6N2O/c1-2-6-9-7(4-5-10-6)11-12-8(9)3-1/h1-5,11H
InChI Key:
KEUKGDVLLQSVLH-UHFFFAOYSA-N
SMILES:
c1cc2nccc3c2c(c1)o[nH]3
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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