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89508-86-1 | 4(1H)-Pyrimidinone, 2-(1,3-benzodioxol-5-yl)-6-hydroxy-
CAS No: 89508-86-1 Catalog No: AG00413D MDL No:
Product Description
Catalog Number:
AG00413D
Chemical Name:
4(1H)-Pyrimidinone, 2-(1,3-benzodioxol-5-yl)-6-hydroxy-
CAS Number:
89508-86-1
Molecular Formula:
C11H8N2O4
Molecular Weight:
232.1922
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-4-hydroxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H8N2O4/c14-9-4-10(15)13-11(12-9)6-1-2-7-8(3-6)17-5-16-7/h1-4H,5H2,(H2,12,13,14,15)
InChI Key:
ZPIQRXQODZZIQA-UHFFFAOYSA-N
SMILES:
O=c1cc(O)[nH]c(n1)c1ccc2c(c1)OCO2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.195g/mol
Monoisotopic Mass:
232.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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