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16675-66-4 | 2-Butanone, 4-(3,4-dihydro-4-hydroxy-6,7-dimethoxy-2(1H)-isoquinolinyl)-
CAS No: 16675-66-4 Catalog No: AG001WXF MDL No:
Product Description
Catalog Number:
AG001WXF
Chemical Name:
2-Butanone, 4-(3,4-dihydro-4-hydroxy-6,7-dimethoxy-2(1H)-isoquinolinyl)-
CAS Number:
16675-66-4
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
4-(4-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
InChI:
InChI=1S/C15H21NO4/c1-10(17)4-5-16-8-11-6-14(19-2)15(20-3)7-12(11)13(18)9-16/h6-7,13,18H,4-5,8-9H2,1-3H3
InChI Key:
OXOIRASLXWAYFP-UHFFFAOYSA-N
SMILES:
COc1cc2CN(CCC(=O)C)CC(c2cc1OC)O
NSC Number:
131704
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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