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129709-18-8 | 4H-Isoxazolo[4,5-e]oxazolo[3,2-a]pyridine (9CI)
CAS No: 129709-18-8 Catalog No: AG000TLG MDL No:
Product Description
Catalog Number:
AG000TLG
Chemical Name:
4H-Isoxazolo[4,5-e]oxazolo[3,2-a]pyridine (9CI)
CAS Number:
129709-18-8
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
IUPAC Name:
3,10-dioxa-1,4-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,8,11-tetraene
InChI:
InChI=1S/C8H6N2O2/c1-2-7-10(3-4-11-7)8-6(1)5-9-12-8/h2-5H,1H2
InChI Key:
IPMPWGISJFTYQO-UHFFFAOYSA-N
SMILES:
n1cc2c(o1)n1ccoc1=CC2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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