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132598-65-3 | 5-Pyrimidinol, 2-(4-decylphenyl)-
CAS No: 132598-65-3 Catalog No: AG0010V7 MDL No:
Product Description
Catalog Number:
AG0010V7
Chemical Name:
5-Pyrimidinol, 2-(4-decylphenyl)-
CAS Number:
132598-65-3
Molecular Formula:
C20H28N2O
Molecular Weight:
312.4491
IUPAC Name:
2-(4-decylphenyl)pyrimidin-5-ol
InChI:
InChI=1S/C20H28N2O/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)20-21-15-19(23)16-22-20/h11-16,23H,2-10H2,1H3
InChI Key:
KBIARTZXMGWTHJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1)c1ncc(cn1)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.457g/mol
Monoisotopic Mass:
312.22g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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