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77119-85-8 | (R)-tert-Butyl (1-oxo-3-phenylpropan-2-yl)carbamate
CAS No: 77119-85-8 Catalog No: AG003C52 MDL No:MFCD00274187
Product Description
Catalog Number:
AG003C52
Chemical Name:
(R)-tert-Butyl (1-oxo-3-phenylpropan-2-yl)carbamate
CAS Number:
77119-85-8
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD00274187
IUPAC Name:
tert-butyl N-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m1/s1
InChI Key:
ZJTYRNPLVNMVPQ-GFCCVEGCSA-N
SMILES:
O=C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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