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90238-02-1 | Oxazolo[5,4-b]azocine, 4-acetyl-4,5,6,7-tetrahydro-2-methyl-
CAS No: 90238-02-1 Catalog No: AG006ICV MDL No:
Product Description
Catalog Number:
AG006ICV
Chemical Name:
Oxazolo[5,4-b]azocine, 4-acetyl-4,5,6,7-tetrahydro-2-methyl-
CAS Number:
90238-02-1
Molecular Formula:
C11H14N2O2
Molecular Weight:
206.2411
IUPAC Name:
1-(2-methyl-6,7-dihydro-5H-[1,3]oxazolo[5,4-b]azocin-4-yl)ethanone
InChI:
InChI=1S/C11H14N2O2/c1-8-12-10-6-4-3-5-7-13(9(2)14)11(10)15-8/h4,6H,3,5,7H2,1-2H3
InChI Key:
KYOFZXMHTYCUEN-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCCC=Cc2c1oc(n2)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.245g/mol
Monoisotopic Mass:
206.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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