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88459-68-1 | 4(1H)-Pyrimidinone, 2-amino-5-[(2-hydroxyethoxy)methyl]-
CAS No: 88459-68-1 Catalog No: AG004F9W MDL No:
Product Description
Catalog Number:
AG004F9W
Chemical Name:
4(1H)-Pyrimidinone, 2-amino-5-[(2-hydroxyethoxy)methyl]-
CAS Number:
88459-68-1
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
IUPAC Name:
2-amino-5-(2-hydroxyethoxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C7H11N3O3/c8-7-9-3-5(6(12)10-7)4-13-2-1-11/h3,11H,1-2,4H2,(H3,8,9,10,12)
InChI Key:
HGXQVCFGVWMBSU-UHFFFAOYSA-N
SMILES:
Nc1nc(=O)c(c[nH]1)COCCO
Properties
Complexity:
260
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:
4
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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