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Home > Aldehydes > 106429-59-8
106429-59-8 | 2,3-Dihydro-2-oxo-1H-benzimidazole-5-carboxaldehyde
CAS No: 106429-59-8 Catalog No: AG00395X MDL No:MFCD18807917
Product Description
Catalog Number:
AG00395X
Chemical Name:
2,3-Dihydro-2-oxo-1H-benzimidazole-5-carboxaldehyde
CAS Number:
106429-59-8
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD18807917
IUPAC Name:
2-oxo-1,3-dihydrobenzimidazole-5-carbaldehyde
InChI:
InChI=1S/C8H6N2O2/c11-4-5-1-2-6-7(3-5)10-8(12)9-6/h1-4H,(H2,9,10,12)
InChI Key:
JHQJXBRTXLUDIM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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