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62299-69-8 | 4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide
CAS No: 62299-69-8 Catalog No: AG00EUUI MDL No:
Product Description
Catalog Number:
AG00EUUI
Chemical Name:
4-Ethynyl-1,2-dimethyldecahydro-4-quinolinol 1-oxide
CAS Number:
62299-69-8
IUPAC Name:
4-ethynyl-1,2-dimethyl-1-oxido-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-ium-4-ol
InChI:
InChI=1S/C13H21NO2/c1-4-13(15)9-10(2)14(3,16)12-8-6-5-7-11(12)13/h1,10-12,15H,5-9H2,2-3H3
InChI Key:
MWFCMXJZHKNTGD-UHFFFAOYSA-N
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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