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125882-95-3 | 5-Pyrimidinecarboxylic acid, 2-[4-(dodecyloxy)phenyl]-
CAS No: 125882-95-3 Catalog No: AG000OXB MDL No:
Product Description
Catalog Number:
AG000OXB
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-[4-(dodecyloxy)phenyl]-
CAS Number:
125882-95-3
Molecular Formula:
C23H32N2O3
Molecular Weight:
384.5118
IUPAC Name:
2-(4-dodecoxyphenyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C23H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-16-28-21-14-12-19(13-15-21)22-24-17-20(18-25-22)23(26)27/h12-15,17-18H,2-11,16H2,1H3,(H,26,27)
InChI Key:
LYVUHPUTWKNGLC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)c1ncc(cn1)C(=O)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.241g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.52g/mol
Monoisotopic Mass:
384.241g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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