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112712-55-7 | 2-Imidazolidinone, 1,5-dimethyl-3-(1-oxopropyl)-4-phenyl-, (4R,5S)-
CAS No: 112712-55-7 Catalog No: AG007SHL MDL No:
Product Description
Catalog Number:
AG007SHL
Chemical Name:
2-Imidazolidinone, 1,5-dimethyl-3-(1-oxopropyl)-4-phenyl-, (4R,5S)-
CAS Number:
112712-55-7
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
(4R,5S)-1,5-dimethyl-4-phenyl-3-propanoylimidazolidin-2-one
InChI:
InChI=1S/C14H18N2O2/c1-4-12(17)16-13(10(2)15(3)14(16)18)11-8-6-5-7-9-11/h5-10,13H,4H2,1-3H3/t10-,13-/m0/s1
InChI Key:
XZSJXMZCPWWOKT-GWCFXTLKSA-N
SMILES:
CCC(=O)N1[C@H](c2ccccc2)[C@@H](N(C1=O)C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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