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13870-70-7 | 5-methyl-1-phenyl-2,3-dihydro-1H-imidazol-2-one
CAS No: 13870-70-7 Catalog No: AG019X77 MDL No:MFCD13196025
Product Description
Catalog Number:
AG019X77
Chemical Name:
5-methyl-1-phenyl-2,3-dihydro-1H-imidazol-2-one
CAS Number:
13870-70-7
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD13196025
IUPAC Name:
4-methyl-3-phenyl-1H-imidazol-2-one
InChI:
InChI=1S/C10H10N2O/c1-8-7-11-10(13)12(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,13)
InChI Key:
VCJPZTGMDULQBV-UHFFFAOYSA-N
SMILES:
Cc1c[nH]c(=O)n1c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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