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114282-45-0 | 4(3H)-Pyrimidinone, 2-amino-5-hydroxy-6-(hydroxymethyl)-
CAS No: 114282-45-0 Catalog No: AG000AYW MDL No:
Product Description
Catalog Number:
AG000AYW
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-5-hydroxy-6-(hydroxymethyl)-
CAS Number:
114282-45-0
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
IUPAC Name:
2-amino-5-hydroxy-4-(hydroxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C5H7N3O3/c6-5-7-2(1-9)3(10)4(11)8-5/h9-10H,1H2,(H3,6,7,8,11)
InChI Key:
IXQZHQFUKUXMIB-UHFFFAOYSA-N
SMILES:
OCc1nc(N)[nH]c(=O)c1O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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