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13922-45-7 | 2,4(1H,3H)-Pyrimidinedione, 6-[(dimethylamino)methyl]-5-hydroxy-
CAS No: 13922-45-7 Catalog No: AG001AI7 MDL No:
Product Description
Catalog Number:
AG001AI7
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(dimethylamino)methyl]-5-hydroxy-
CAS Number:
13922-45-7
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
6-[(dimethylamino)methyl]-5-hydroxy-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H11N3O3/c1-10(2)3-4-5(11)6(12)9-7(13)8-4/h11H,3H2,1-2H3,(H2,8,9,12,13)
InChI Key:
VDRAPYOIEOAAAO-UHFFFAOYSA-N
SMILES:
CN(Cc1[nH]c(=O)[nH]c(=O)c1O)C
UNII:
I4G66NBJ4Z
NSC Number:
99738
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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