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131548-44-2 | 5-Pyrimidinol, 2-[4-(hexyloxy)phenyl]-
CAS No: 131548-44-2 Catalog No: AG000ZES MDL No:
Product Description
Catalog Number:
AG000ZES
Chemical Name:
5-Pyrimidinol, 2-[4-(hexyloxy)phenyl]-
CAS Number:
131548-44-2
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
2-(4-hexoxyphenyl)pyrimidin-5-ol
InChI:
InChI=1S/C16H20N2O2/c1-2-3-4-5-10-20-15-8-6-13(7-9-15)16-17-11-14(19)12-18-16/h6-9,11-12,19H,2-5,10H2,1H3
InChI Key:
MHSAUKQYUPPMRZ-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)c1ncc(cn1)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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