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1272973-58-6 | 1-Piperazinecarboxylic acid, 4-(5-hydroxy-2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1272973-58-6 Catalog No: AG000WW3 MDL No:MFCD23110950
Product Description
Catalog Number:
AG000WW3
Chemical Name:
1-Piperazinecarboxylic acid, 4-(5-hydroxy-2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1272973-58-6
Molecular Formula:
C13H20N4O3
Molecular Weight:
280.3229
MDL Number:
MFCD23110950
IUPAC Name:
tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H20N4O3/c1-13(2,3)20-12(19)17-6-4-16(5-7-17)11-14-8-10(18)9-15-11/h8-9,18H,4-7H2,1-3H3
InChI Key:
QEBOLTCHZIZLDV-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(cn1)O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.328g/mol
Monoisotopic Mass:
280.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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