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16675-64-2 | 2-Butanone, 4-(3,4-dihydro-4,7-dihydroxy-6-methoxy-2(1H)-isoquinolinyl)-
CAS No: 16675-64-2 Catalog No: AG001WXH MDL No:
Product Description
Catalog Number:
AG001WXH
Chemical Name:
2-Butanone, 4-(3,4-dihydro-4,7-dihydroxy-6-methoxy-2(1H)-isoquinolinyl)-
CAS Number:
16675-64-2
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
4-(4,7-dihydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-one
InChI:
InChI=1S/C14H19NO4/c1-9(16)3-4-15-7-10-5-12(17)14(19-2)6-11(10)13(18)8-15/h5-6,13,17-18H,3-4,7-8H2,1-2H3
InChI Key:
PIEXRCRXGSYDSD-UHFFFAOYSA-N
SMILES:
COc1cc2C(O)CN(Cc2cc1O)CCC(=O)C
NSC Number:
131684
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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