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20551-21-7 | 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(2-hydroxyethyl)-6-methyl-
CAS No: 20551-21-7 Catalog No: AG002A5F MDL No:
Product Description
Catalog Number:
AG002A5F
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1,3-bis(2-hydroxyethyl)-6-methyl-
CAS Number:
20551-21-7
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
IUPAC Name:
1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C9H14N2O4/c1-7-6-8(14)11(3-5-13)9(15)10(7)2-4-12/h6,12-13H,2-5H2,1H3
InChI Key:
AAAPIPDCURLSDL-UHFFFAOYSA-N
SMILES:
OCCn1c(C)cc(=O)n(c1=O)CCO
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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