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Home > Aldehydes > 933709-97-8
933709-97-8 | 1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbaldehyde
CAS No: 933709-97-8 Catalog No: AG01BPQO MDL No:MFCD30500519
Product Description
Catalog Number:
AG01BPQO
Chemical Name:
1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbaldehyde
CAS Number:
933709-97-8
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD30500519
IUPAC Name:
1-oxo-3,4-dihydro-2H-isoquinoline-4-carbaldehyde
InChI:
InChI=1S/C10H9NO2/c12-6-7-5-11-10(13)9-4-2-1-3-8(7)9/h1-4,6-7H,5H2,(H,11,13)
InChI Key:
KEGSYGBWUXUFTR-UHFFFAOYSA-N
SMILES:
O=CC1CNC(=O)c2c1cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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