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88168-00-7 | 3H-Oxazolo[3,4-a]pyridin-3-one, 1-ethyl-5,6,7,8-tetrahydro-
CAS No: 88168-00-7 Catalog No: AG004DAV MDL No:
Product Description
Catalog Number:
AG004DAV
Chemical Name:
3H-Oxazolo[3,4-a]pyridin-3-one, 1-ethyl-5,6,7,8-tetrahydro-
CAS Number:
88168-00-7
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1-ethyl-5,6,7,8-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/h2-6H2,1H3
InChI Key:
ILLGVGQOVJAFOO-UHFFFAOYSA-N
SMILES:
CCc1oc(=O)n2c1CCCC2
Properties
Complexity:
245
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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