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132804-40-1 | 4,7-Ethanoisoxazolo[4,5-c]pyridine (9CI)
CAS No: 132804-40-1 Catalog No: AG00116X MDL No:
Product Description
Catalog Number:
AG00116X
Chemical Name:
4,7-Ethanoisoxazolo[4,5-c]pyridine (9CI)
CAS Number:
132804-40-1
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
3-oxa-4,8-diazatricyclo[5.2.2.02,6]undeca-1(9),2(6),4,7-tetraene
InChI:
InChI=1S/C8H6N2O/c1-2-7-6-4-10-11-8(6)5(1)3-9-7/h3-4H,1-2H2
InChI Key:
MPVHMBVVPIKZBO-UHFFFAOYSA-N
SMILES:
n1oc2c(c1)c1CCc2cn1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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