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1149-57-1 | Phenol, 4-[2-(2-pyridinyl)ethenyl]-, 1-acetate
CAS No: 1149-57-1 Catalog No: AG000FFB MDL No:
Product Description
Catalog Number:
AG000FFB
Chemical Name:
Phenol, 4-[2-(2-pyridinyl)ethenyl]-, 1-acetate
CAS Number:
1149-57-1
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
[4-(2-pyridin-2-ylethenyl)phenyl] acetate
InChI:
InChI=1S/C15H13NO2/c1-12(17)18-15-9-6-13(7-10-15)5-8-14-4-2-3-11-16-14/h2-11H,1H3
InChI Key:
KSTDUJJGAWWLFZ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C=Cc1ccccn1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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