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115770-82-6 | Phenol, 4-[5-(nonyloxy)-2-pyrimidinyl]-
CAS No: 115770-82-6 Catalog No: AG000GUT MDL No:
Product Description
Catalog Number:
AG000GUT
Chemical Name:
Phenol, 4-[5-(nonyloxy)-2-pyrimidinyl]-
CAS Number:
115770-82-6
Molecular Formula:
C19H26N2O2
Molecular Weight:
314.4219
IUPAC Name:
4-(5-nonoxypyrimidin-2-yl)phenol
InChI:
InChI=1S/C19H26N2O2/c1-2-3-4-5-6-7-8-13-23-18-14-20-19(21-15-18)16-9-11-17(22)12-10-16/h9-12,14-15,22H,2-8,13H2,1H3
InChI Key:
AEGLSIMJXJWGFT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1cnc(nc1)c1ccc(cc1)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.429g/mol
Monoisotopic Mass:
314.199g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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