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89391-21-9 | 3H-Oxazolo[3,4-a]pyridine-1,3(5H)-dione, tetrahydro-5-methyl-, cis-
CAS No: 89391-21-9 Catalog No: AG003WCU MDL No:
Product Description
Catalog Number:
AG003WCU
Chemical Name:
3H-Oxazolo[3,4-a]pyridine-1,3(5H)-dione, tetrahydro-5-methyl-, cis-
CAS Number:
89391-21-9
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
5-methyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridine-1,3-dione
InChI:
InChI=1S/C8H11NO3/c1-5-3-2-4-6-7(10)12-8(11)9(5)6/h5-6H,2-4H2,1H3
InChI Key:
ACIUPUVXQDWIIK-UHFFFAOYSA-N
SMILES:
C[C@@H]1CCC[C@@H]2N1C(=O)OC2=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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