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114591-18-3 | 5-Hexene-2,4-dione, 6-(4-methoxyphenyl)-
CAS No: 114591-18-3 Catalog No: AG000ERM MDL No:
Product Description
Catalog Number:
AG000ERM
Chemical Name:
5-Hexene-2,4-dione, 6-(4-methoxyphenyl)-
CAS Number:
114591-18-3
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
6-(4-methoxyphenyl)hex-5-ene-2,4-dione
InChI:
InChI=1S/C13H14O3/c1-10(14)9-12(15)6-3-11-4-7-13(16-2)8-5-11/h3-8H,9H2,1-2H3
InChI Key:
MCLOSNALELLWRW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)CC(=O)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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