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Home > Imidazoles > 53995-06-5
53995-06-5 | 1-phenyl-1,3-dihydro-2H-imidazol-2-one
CAS No: 53995-06-5 Catalog No: AG00J2RJ MDL No:MFCD00466795
Product Description
Catalog Number:
AG00J2RJ
Chemical Name:
1-phenyl-1,3-dihydro-2H-imidazol-2-one
CAS Number:
53995-06-5
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00466795
IUPAC Name:
3-phenyl-1H-imidazol-2-one
InChI:
InChI=1S/C9H8N2O/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChI Key:
ZZNMRBGELWVJND-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccn1c1ccccc1
NSC Number:
606629
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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