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771-08-4 | 3-Oxoisoindoline-4-carbaldehyde
CAS No: 771-08-4 Catalog No: AG008O00 MDL No:MFCD09701274
Product Description
Catalog Number:
AG008O00
Chemical Name:
3-Oxoisoindoline-4-carbaldehyde
CAS Number:
771-08-4
Molecular Formula:
C9H5NO2
Molecular Weight:
159.1415
MDL Number:
MFCD09701274
IUPAC Name:
3-oxo-1,2-dihydroisoindole-4-carbaldehyde
InChI:
InChI=1S/C9H7NO2/c11-5-7-3-1-2-6-4-10-9(12)8(6)7/h1-3,5H,4H2,(H,10,12)
InChI Key:
IUZIMWDWXWFSKZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1C(=O)N=C2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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