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Home > Aldehydes > 113394-33-5
113394-33-5 | Benzaldehyde, 4-(2,5-dioxo-1-imidazolidinyl)-, 1-oxime
CAS No: 113394-33-5 Catalog No: AG0008EA MDL No:
Product Description
Catalog Number:
AG0008EA
Chemical Name:
Benzaldehyde, 4-(2,5-dioxo-1-imidazolidinyl)-, 1-oxime
CAS Number:
113394-33-5
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
3-[4-(hydroxyiminomethyl)phenyl]imidazolidine-2,4-dione
InChI:
InChI=1S/C10H9N3O3/c14-9-6-11-10(15)13(9)8-3-1-7(2-4-8)5-12-16/h1-5,16H,6H2,(H,11,15)
InChI Key:
WNMRACBDZWBKID-UHFFFAOYSA-N
SMILES:
ON=Cc1ccc(cc1)N1C(=O)CNC1=O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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