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52903-71-6 | 1-hydroxy-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS No: 52903-71-6 Catalog No: AG00DG0S MDL No:
Product Description
Catalog Number:
AG00DG0S
Chemical Name:
1-hydroxy-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS Number:
52903-71-6
IUPAC Name:
1-hydroxy-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H10N2O2/c11-5-8-6-3-1-2-4-7(6)9(13)12-10(8)14/h1-4H2,(H2,12,13,14)
InChI Key:
WKMMNYRXRAOVAE-UHFFFAOYSA-N
NSC Number:
153281
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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