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13747-14-3 | 2(1H)-Pyrimidinone, tetrahydro-5-hydroxy-1,3-bis(methoxymethyl)-
CAS No: 13747-14-3 Catalog No: AG0013CI MDL No:
Product Description
Catalog Number:
AG0013CI
Chemical Name:
2(1H)-Pyrimidinone, tetrahydro-5-hydroxy-1,3-bis(methoxymethyl)-
CAS Number:
13747-14-3
Molecular Formula:
C8H16N2O4
Molecular Weight:
204.2236
IUPAC Name:
5-hydroxy-1,3-bis(methoxymethyl)-1,3-diazinan-2-one
InChI:
InChI=1S/C8H16N2O4/c1-13-5-9-3-7(11)4-10(6-14-2)8(9)12/h7,11H,3-6H2,1-2H3
InChI Key:
ZFELQUOLGPARBA-UHFFFAOYSA-N
SMILES:
COCN1CC(O)CN(C1=O)COC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.226g/mol
Monoisotopic Mass:
204.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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