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124867-50-1 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(hydroxymethyl)-5,7,8-trimethoxy-6-methyl-
CAS No: 124867-50-1 Catalog No: AG000MTN MDL No:
Product Description
Catalog Number:
AG000MTN
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4-dihydro-1-(hydroxymethyl)-5,7,8-trimethoxy-6-methyl-
CAS Number:
124867-50-1
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
IUPAC Name:
1-(hydroxymethyl)-5,7,8-trimethoxy-6-methyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C15H21NO5/c1-9-13(19-2)10-5-6-16(8-18)11(7-17)12(10)15(21-4)14(9)20-3/h8,11,17H,5-7H2,1-4H3
InChI Key:
SHGQFUADXRFCRN-UHFFFAOYSA-N
SMILES:
O=CN1CCc2c(C1CO)c(OC)c(c(c2OC)C)OC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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