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180719-37-3 | 3,7-Methano-5H-oxazolo[3,2-a]pyridine (9CI)
CAS No: 180719-37-3 Catalog No: AG0022A8 MDL No:
Product Description
Catalog Number:
AG0022A8
Chemical Name:
3,7-Methano-5H-oxazolo[3,2-a]pyridine (9CI)
CAS Number:
180719-37-3
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
4-oxa-7-azatricyclo[4.3.1.03,7]deca-1(9),2,5-triene
InChI:
InChI=1S/C8H7NO/c1-2-9-7-3-6(1)4-8(9)10-5-7/h1,4-5H,2-3H2
InChI Key:
MQRAPFAPVCWLHM-UHFFFAOYSA-N
SMILES:
C1=C2Cc3n(C1)c(=C2)oc3
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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