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5711-41-1 | 4-(4-Methoxyphenyl)-4-oxobut-2-enoic acid
CAS No: 5711-41-1 Catalog No: AG003I4O MDL No:MFCD00020486
Product Description
Catalog Number:
AG003I4O
Chemical Name:
4-(4-Methoxyphenyl)-4-oxobut-2-enoic acid
CAS Number:
5711-41-1
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD00020486
IUPAC Name:
(E)-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChI Key:
WORYXBDHTBWLLL-VOTSOKGWSA-N
SMILES:
COc1ccc(cc1)C(=O)/C=C/C(=O)O
NSC Number:
25331
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields. | European journal of medicinal chemistry 20110801 |
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