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115313-19-4 | Carbamic acid, N-[(1R)-3-diazo-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 115313-19-4 Catalog No: AG000GLZ MDL No:
Product Description
Catalog Number:
AG000GLZ
Chemical Name:
Carbamic acid, N-[(1R)-3-diazo-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
115313-19-4
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
tert-butyl N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C15H19N3O3/c1-15(2,3)21-14(20)18-12(13(19)10-17-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,18,20)/t12-/m0/s1
InChI Key:
RCMYIGTVOBGQJW-LBPRGKRZSA-N
SMILES:
O=C([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C=[N+]=[N-]
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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