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142057-92-9 | 5-Pyrimidinecarboxylic acid, 2-[4-(tetradecyloxy)phenyl]-
CAS No: 142057-92-9 Catalog No: AG001HNR MDL No:
Product Description
Catalog Number:
AG001HNR
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-[4-(tetradecyloxy)phenyl]-
CAS Number:
142057-92-9
Molecular Formula:
C25H36N2O3
Molecular Weight:
412.5649
IUPAC Name:
2-(4-tetradecoxyphenyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C25H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-30-23-16-14-21(15-17-23)24-26-19-22(20-27-24)25(28)29/h14-17,19-20H,2-13,18H2,1H3,(H,28,29)
InChI Key:
UYMCJNNYMKMGOF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1ccc(cc1)c1ncc(cn1)C(=O)O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.273g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.574g/mol
Monoisotopic Mass:
412.273g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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