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102408-53-7 | Phenol, 4-(5-nonyl-2-pyrimidinyl)-
CAS No: 102408-53-7 Catalog No: AG0007DR MDL No:
Product Description
Catalog Number:
AG0007DR
Chemical Name:
Phenol, 4-(5-nonyl-2-pyrimidinyl)-
CAS Number:
102408-53-7
Molecular Formula:
C19H26N2O
Molecular Weight:
298.4225
IUPAC Name:
4-(5-nonylpyrimidin-2-yl)phenol
InChI:
InChI=1S/C19H26N2O/c1-2-3-4-5-6-7-8-9-16-14-20-19(21-15-16)17-10-12-18(22)13-11-17/h10-15,22H,2-9H2,1H3
InChI Key:
MRCBGFDKDHZDCD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cnc(nc1)c1ccc(cc1)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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