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804442-72-6 | 3H-Oxazolo[3,4-a]pyridin-3-imine,hexahydro-1-(3-methylphenyl)-(9CI)
CAS No: 804442-72-6 Catalog No: AG00GDUI MDL No:
Product Description
Catalog Number:
AG00GDUI
Chemical Name:
3H-Oxazolo[3,4-a]pyridin-3-imine,hexahydro-1-(3-methylphenyl)-(9CI)
CAS Number:
804442-72-6
IUPAC Name:
1-(3-methylphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
InChI:
InChI=1S/C14H18N2O/c1-10-5-4-6-11(9-10)13-12-7-2-3-8-16(12)14(15)17-13/h4-6,9,12-13,15H,2-3,7-8H2,1H3
InChI Key:
HKKWTWGTALDJGG-UHFFFAOYSA-N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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