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833487-57-3 | Carbamic acid, [(1R)-2-oxo-1-phenylpropyl]-, phenylmethyl ester
CAS No: 833487-57-3 Catalog No: AG004S5U MDL No:
Product Description
Catalog Number:
AG004S5U
Chemical Name:
Carbamic acid, [(1R)-2-oxo-1-phenylpropyl]-, phenylmethyl ester
CAS Number:
833487-57-3
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
benzyl N-[(1R)-2-oxo-1-phenylpropyl]carbamate
InChI:
InChI=1S/C17H17NO3/c1-13(19)16(15-10-6-3-7-11-15)18-17(20)21-12-14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H,18,20)/t16-/m0/s1
InChI Key:
MWDCEAGGPWNOEO-INIZCTEOSA-N
SMILES:
O=C(N[C@H](c1ccccc1)C(=O)C)OCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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