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890023-13-9 | 3-hydroxy-6,6-dimethyl-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS No: 890023-13-9 Catalog No: AG00H4AF MDL No:
Product Description
Catalog Number:
AG00H4AF
Chemical Name:
3-hydroxy-6,6-dimethyl-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS Number:
890023-13-9
IUPAC Name:
1-hydroxy-6,6-dimethyl-3-oxo-2,5,7,8-tetrahydroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C12H14N2O2/c1-12(2)4-3-7-8(5-12)9(6-13)11(16)14-10(7)15/h3-5H2,1-2H3,(H2,14,15,16)
InChI Key:
HMAQVGUVSOKPSH-UHFFFAOYSA-N
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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