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119259-53-9 | 5-Pyrimidinol, 2-(4-nonylphenyl)-
CAS No: 119259-53-9 Catalog No: AG000IGH MDL No:
Product Description
Catalog Number:
AG000IGH
Chemical Name:
5-Pyrimidinol, 2-(4-nonylphenyl)-
CAS Number:
119259-53-9
Molecular Formula:
C19H26N2O
Molecular Weight:
298.4225
IUPAC Name:
2-(4-nonylphenyl)pyrimidin-5-ol
InChI:
InChI=1S/C19H26N2O/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-20-14-18(22)15-21-19/h10-15,22H,2-9H2,1H3
InChI Key:
ABXHJYYXMRWRSQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccc(cc1)c1ncc(cn1)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.205g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.43g/mol
Monoisotopic Mass:
298.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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