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128005-60-7 | Benzoic acid, 4-(5-nonyl-2-pyrimidinyl)-
CAS No: 128005-60-7 Catalog No: AG000XP6 MDL No:
Product Description
Catalog Number:
AG000XP6
Chemical Name:
Benzoic acid, 4-(5-nonyl-2-pyrimidinyl)-
CAS Number:
128005-60-7
Molecular Formula:
C20H26N2O2
Molecular Weight:
326.4326
IUPAC Name:
4-(5-nonylpyrimidin-2-yl)benzoic acid
InChI:
InChI=1S/C20H26N2O2/c1-2-3-4-5-6-7-8-9-16-14-21-19(22-15-16)17-10-12-18(13-11-17)20(23)24/h10-15H,2-9H2,1H3,(H,23,24)
InChI Key:
UFWFFRJAXVJBDM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cnc(nc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.44g/mol
Monoisotopic Mass:
326.199g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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