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15725-26-5 | Butanoic acid, 2-[(4-methoxyphenyl)methylene]-3-oxo-, ethyl ester
CAS No: 15725-26-5 Catalog No: AG001PBS MDL No:
Product Description
Catalog Number:
AG001PBS
Chemical Name:
Butanoic acid, 2-[(4-methoxyphenyl)methylene]-3-oxo-, ethyl ester
CAS Number:
15725-26-5
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
ethyl 2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate
InChI:
InChI=1S/C14H16O4/c1-4-18-14(16)13(10(2)15)9-11-5-7-12(17-3)8-6-11/h5-9H,4H2,1-3H3
InChI Key:
MXDVNECCWOURRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(cc1)OC)C(=O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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