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Home > Aldehydes > 124909-66-6
124909-66-6 | 2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,8-tetrahydro-1-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-
CAS No: 124909-66-6 Catalog No: AG000MVV MDL No:
Product Description
Catalog Number:
AG000MVV
Chemical Name:
2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,8-tetrahydro-1-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-
CAS Number:
124909-66-6
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
IUPAC Name:
1-(hydroxymethyl)-7-methoxy-6-methyl-5,8-dioxo-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
InChI:
InChI=1S/C13H15NO5/c1-7-11(17)8-3-4-14(6-16)9(5-15)10(8)12(18)13(7)19-2/h6,9,15H,3-5H2,1-2H3
InChI Key:
AKLXGPSKKVZHDR-UHFFFAOYSA-N
SMILES:
OCC1N(C=O)CCC2=C1C(=O)C(=C(C2=O)C)OC
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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