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1500249-21-7 | 3-Isoquinolinecarboxaldehyde, 1-methyl-
CAS No: 1500249-21-7 Catalog No: AG001M8W MDL No:
Product Description
Catalog Number:
AG001M8W
Chemical Name:
3-Isoquinolinecarboxaldehyde, 1-methyl-
CAS Number:
1500249-21-7
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
IUPAC Name:
1-methylisoquinoline-3-carbaldehyde
InChI:
InChI=1S/C11H9NO/c1-8-11-5-3-2-4-9(11)6-10(7-13)12-8/h2-7H,1H3
InChI Key:
NJBZZTHJHMDSKK-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccccc2c(n1)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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