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13186-10-2 | Phosphoric acid, dimethyl ester, ester with 5-hydroxy-2,6-dimethoxy-3-methyl-4(3H)-pyrimidinone (8CI)
CAS No: 13186-10-2 Catalog No: AG000ZUG MDL No:
Product Description
Catalog Number:
AG000ZUG
Chemical Name:
Phosphoric acid, dimethyl ester, ester with 5-hydroxy-2,6-dimethoxy-3-methyl-4(3H)-pyrimidinone (8CI)
CAS Number:
13186-10-2
Molecular Formula:
C9H15N2O7P
Molecular Weight:
294.1984
IUPAC Name:
(2,4-dimethoxy-1-methyl-6-oxopyrimidin-5-yl) dimethyl phosphate
InChI:
InChI=1S/C9H15N2O7P/c1-11-8(12)6(18-19(13,16-4)17-5)7(14-2)10-9(11)15-3/h1-5H3
InChI Key:
LGRFPXBIDFMDHE-UHFFFAOYSA-N
SMILES:
COc1nc(OC)n(c(=O)c1OP(=O)(OC)OC)C
NSC Number:
103759
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.2g/mol
Monoisotopic Mass:
294.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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