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15001-27-1 | 3-Buten-2-one, 4-(3,4-dimethoxyphenyl)-
CAS No: 15001-27-1 Catalog No: AG001M8T MDL No:
Product Description
Catalog Number:
AG001M8T
Chemical Name:
3-Buten-2-one, 4-(3,4-dimethoxyphenyl)-
CAS Number:
15001-27-1
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
(E)-4-(3,4-dimethoxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3/b5-4+
InChI Key:
XUYBNDHXZMIALN-SNAWJCMRSA-N
SMILES:
COc1cc(C=CC(=O)C)ccc1OC
EC Number:
239-095-0
NSC Number:
217305
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Dehydrozingerone, chalcone, and isoeugenol analogues as in vitro anticancer agents. | Journal of natural products 20061001 |
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