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159554-59-3 | 3-Buten-2-one, 4-(4-hydroxy-3,5-dimethoxyphenyl)-
CAS No: 159554-59-3 Catalog No: AG001R5S MDL No:
Product Description
Catalog Number:
AG001R5S
Chemical Name:
3-Buten-2-one, 4-(4-hydroxy-3,5-dimethoxyphenyl)-
CAS Number:
159554-59-3
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
4-(4-hydroxy-3,5-dimethoxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C12H14O4/c1-8(13)4-5-9-6-10(15-2)12(14)11(7-9)16-3/h4-7,14H,1-3H3
InChI Key:
OOFWCWCUKUVTKD-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)C)cc(c1O)OC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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