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88459-62-5 | 2,4(1H,3H)-Pyrimidinedione, 5-[(2-hydroxyethoxy)methyl]-
CAS No: 88459-62-5 Catalog No: AG004DX6 MDL No:
Product Description
Catalog Number:
AG004DX6
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-[(2-hydroxyethoxy)methyl]-
CAS Number:
88459-62-5
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
IUPAC Name:
5-(2-hydroxyethoxymethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C7H10N2O4/c10-1-2-13-4-5-3-8-7(12)9-6(5)11/h3,10H,1-2,4H2,(H2,8,9,11,12)
InChI Key:
IKCYGDIJFXSKLO-UHFFFAOYSA-N
SMILES:
OCCOCc1c[nH]c(=O)[nH]c1=O
NSC Number:
649067
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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