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1195233-59-0 | 4-Cyclopentene-1,3-dione, 2-[(2E)-1-ethoxy-3-phenyl-2-propen-1-ylidene]-4-methoxy-, (2Z)-
CAS No: 1195233-59-0 Catalog No: AG000IWO MDL No:MFCD20260392
Product Description
Catalog Number:
AG000IWO
Chemical Name:
4-Cyclopentene-1,3-dione, 2-[(2E)-1-ethoxy-3-phenyl-2-propen-1-ylidene]-4-methoxy-, (2Z)-
CAS Number:
1195233-59-0
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
MDL Number:
MFCD20260392
IUPAC Name:
(2E)-2-[(E)-1-ethoxy-3-phenylprop-2-enylidene]-4-methoxycyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C17H16O4/c1-3-21-14(10-9-12-7-5-4-6-8-12)16-13(18)11-15(20-2)17(16)19/h4-11H,3H2,1-2H3/b10-9+,16-14+
InChI Key:
BEDCQNBTLHLBEP-WAJBHNFBSA-N
SMILES:
CCO/C(=C\1/C(=O)C=C(C1=O)OC)/C=C/c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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