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88168-01-8 | 3H-Oxazolo[3,4-a]pyridin-3-one, 1-ethylhexahydro-, trans-
CAS No: 88168-01-8 Catalog No: AG008BQL MDL No:
Product Description
Catalog Number:
AG008BQL
Chemical Name:
3H-Oxazolo[3,4-a]pyridin-3-one, 1-ethylhexahydro-, trans-
CAS Number:
88168-01-8
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
(1S,8aR)-1-ethyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
InChI:
InChI=1S/C9H15NO2/c1-2-8-7-5-3-4-6-10(7)9(11)12-8/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChI Key:
CWWKDDPCOIXWBN-SFYZADRCSA-N
SMILES:
CC[C@@H]1OC(=O)N2[C@@H]1CCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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