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88167-99-1 | 3H-Oxazolo[3,4-a]pyridin-3-one, 1-ethyl-1,5,6,7-tetrahydro-
CAS No: 88167-99-1 Catalog No: AG008BQM MDL No:
Product Description
Catalog Number:
AG008BQM
Chemical Name:
3H-Oxazolo[3,4-a]pyridin-3-one, 1-ethyl-1,5,6,7-tetrahydro-
CAS Number:
88167-99-1
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1-ethyl-1,5,6,7-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
InChI:
InChI=1S/C9H13NO2/c1-2-8-7-5-3-4-6-10(7)9(11)12-8/h5,8H,2-4,6H2,1H3
InChI Key:
QIYQYGNLYBUKIT-UHFFFAOYSA-N
SMILES:
CCC1OC(=O)N2C1=CCCC2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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