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113780-05-5 | 1,7-Methano-3H-oxazolo[3,4-a]pyridine (9CI)
CAS No: 113780-05-5 Catalog No: AG0009N3 MDL No:
Product Description
Catalog Number:
AG0009N3
Chemical Name:
1,7-Methano-3H-oxazolo[3,4-a]pyridine (9CI)
CAS Number:
113780-05-5
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
6-oxa-4-azatricyclo[5.2.1.04,8]deca-1(9),2,7-triene
InChI:
InChI=1S/C8H7NO/c1-2-9-5-10-8-4-6(1)3-7(8)9/h1-3H,4-5H2
InChI Key:
FKZFZHRXIBKSGV-UHFFFAOYSA-N
SMILES:
c1cn2COC3=c2cc1C3
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:
1
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