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127799-53-5 | 1,2-Hydrazinedicarboxylic acid, 1-methyl-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester
CAS No: 127799-53-5 Catalog No: AG000XES MDL No:MFCD15142943
Product Description
Catalog Number:
AG000XES
Chemical Name:
1,2-Hydrazinedicarboxylic acid, 1-methyl-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester
CAS Number:
127799-53-5
Molecular Formula:
C14H20N2O4
Molecular Weight:
280.3196
MDL Number:
MFCD15142943
IUPAC Name:
benzyl N-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
InChI:
InChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)15-16(4)13(18)19-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,17)
InChI Key:
QLENQJRALFNHGJ-UHFFFAOYSA-N
SMILES:
CN(C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.324g/mol
Monoisotopic Mass:
280.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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