Home Aldehydes 1H-Isoindole-5-carboxaldehyde, 2,3-dihydro-3-oxo-

1H-Isoindole-5-carboxaldehyde, 2,3-dihydro-3-oxo-

CAS No.:
1260664-94-5
Catalog Number:
AG000R0M
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
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Product Description
Catalog Number:
AG000R0M
Chemical Name:
1H-Isoindole-5-carboxaldehyde, 2,3-dihydro-3-oxo-
CAS Number:
1260664-94-5
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD18251181
IUPAC Name:
3-oxo-1,2-dihydroisoindole-5-carbaldehyde
InChI:
InChI=1S/C9H7NO2/c11-5-6-1-2-7-4-10-9(12)8(7)3-6/h1-3,5H,4H2,(H,10,12)
InChI Key:
CLDCSOQPDZYABK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)C(=O)NC2
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  
Properties