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89371-95-9 | 4-Imidazolidinecarboxylic acid, 1-butyl-2-oxo-, phenylmethyl ester, (S)-
CAS No: 89371-95-9 Catalog No: AG003XKK MDL No:
Product Description
Catalog Number:
AG003XKK
Chemical Name:
4-Imidazolidinecarboxylic acid, 1-butyl-2-oxo-, phenylmethyl ester, (S)-
CAS Number:
89371-95-9
Molecular Formula:
C15H20N2O3
Molecular Weight:
276.3309
IUPAC Name:
benzyl 1-butyl-2-oxoimidazolidine-4-carboxylate
InChI:
InChI=1S/C15H20N2O3/c1-2-3-9-17-10-13(16-15(17)19)14(18)20-11-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,16,19)
InChI Key:
UHHZHYQOJXBQOM-UHFFFAOYSA-N
SMILES:
CCCCN1C[C@H](NC1=O)C(=O)OCc1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.336g/mol
Monoisotopic Mass:
276.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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