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86944-36-7 | Carbonic acid,2-[2-(acetylamino)-1,6-dihydro-6-oxo-4-pyrimidinyl]-2,2-diethoxyethyl methylester
CAS No: 86944-36-7 Catalog No: AG004HMA MDL No:
Product Description
Catalog Number:
AG004HMA
Chemical Name:
Carbonic acid,2-[2-(acetylamino)-1,6-dihydro-6-oxo-4-pyrimidinyl]-2,2-diethoxyethyl methylester
CAS Number:
86944-36-7
Molecular Formula:
C14H21N3O7
Molecular Weight:
343.3324
IUPAC Name:
[2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)-2,2-diethoxyethyl] methyl carbonate
InChI:
InChI=1S/C14H21N3O7/c1-5-23-14(24-6-2,8-22-13(20)21-4)10-7-11(19)17-12(16-10)15-9(3)18/h7H,5-6,8H2,1-4H3,(H2,15,16,17,18,19)
InChI Key:
VLMNKUNRTUPICO-UHFFFAOYSA-N
SMILES:
CCOC(c1cc(=O)nc([nH]1)NC(=O)C)(COC(=O)OC)OCC
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.138g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.336g/mol
Monoisotopic Mass:
343.138g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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