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926307-99-5 | 1-Oxoisoindoline-5-carbaldehyde
CAS No: 926307-99-5 Catalog No: AG0036WW MDL No:MFCD13177813
Product Description
Catalog Number:
AG0036WW
Chemical Name:
1-Oxoisoindoline-5-carbaldehyde
CAS Number:
926307-99-5
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD13177813
IUPAC Name:
1-oxo-2,3-dihydroisoindole-5-carbaldehyde
InChI:
InChI=1S/C9H7NO2/c11-5-6-1-2-8-7(3-6)4-10-9(8)12/h1-3,5H,4H2,(H,10,12)
InChI Key:
UMYUTSDBBFORJI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)CNC2=O
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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