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Home > Aldehydes > 656234-28-5
656234-28-5 | Benzaldehyde, 3-(1,2-dihydro-5-hydroxy-1-oxo-4-isoquinolinyl)-
CAS No: 656234-28-5 Catalog No: AG006QIM MDL No:
Product Description
Catalog Number:
AG006QIM
Chemical Name:
Benzaldehyde, 3-(1,2-dihydro-5-hydroxy-1-oxo-4-isoquinolinyl)-
CAS Number:
656234-28-5
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
3-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)benzaldehyde
InChI:
InChI=1S/C16H11NO3/c18-9-10-3-1-4-11(7-10)13-8-17-16(20)12-5-2-6-14(19)15(12)13/h1-9,19H,(H,17,20)
InChI Key:
YXNCWZFDTBYNFP-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1c[nH]c(=O)c2c1c(O)ccc2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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