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5444-87-1 | 3-(2-pyridin-4-ylbut-1-enyl)phenol
CAS No: 5444-87-1 Catalog No: AG00E0Z7 MDL No:
Product Description
Catalog Number:
AG00E0Z7
Chemical Name:
3-(2-pyridin-4-ylbut-1-enyl)phenol
CAS Number:
5444-87-1
IUPAC Name:
3-(2-pyridin-4-ylbut-1-enyl)phenol
InChI:
InChI=1S/C15H15NO/c1-2-13(14-6-8-16-9-7-14)10-12-4-3-5-15(17)11-12/h3-11,17H,2H2,1H3
InChI Key:
IPSSUCQDQBETMX-UHFFFAOYSA-N
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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