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2048-52-4 | 2(1H)-Pyrimidinone, 4-amino-1-(phenylmethoxy)-
CAS No: 2048-52-4 Catalog No: AG0029PQ MDL No:MFCD22055426
Product Description
Catalog Number:
AG0029PQ
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-1-(phenylmethoxy)-
CAS Number:
2048-52-4
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD22055426
IUPAC Name:
4-amino-1-phenylmethoxypyrimidin-2-one
InChI:
InChI=1S/C11H11N3O2/c12-10-6-7-14(11(15)13-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,15)
InChI Key:
FDEHGDIBAQEJQV-UHFFFAOYSA-N
SMILES:
Nc1ccn(c(=O)n1)OCc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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