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79694-87-4 | 2-Buten-1-one, 1-(5-ethenyl-2-methoxyphenyl)-3-methyl-
CAS No: 79694-87-4 Catalog No: AG0050WI MDL No:
Product Description
Catalog Number:
AG0050WI
Chemical Name:
2-Buten-1-one, 1-(5-ethenyl-2-methoxyphenyl)-3-methyl-
CAS Number:
79694-87-4
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
1-(5-ethenyl-2-methoxyphenyl)-3-methylbut-2-en-1-one
InChI:
InChI=1S/C14H16O2/c1-5-11-6-7-14(16-4)12(9-11)13(15)8-10(2)3/h5-9H,1H2,2-4H3
InChI Key:
CGANNMLHGVBYHU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)C=C(C)C)C=C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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