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17088-28-7 | 1,4-Phenylenediacrylic acid diethyl ester
CAS No: 17088-28-7 Catalog No: AG003DPJ MDL No:MFCD00017521
Product Description
Catalog Number:
AG003DPJ
Chemical Name:
1,4-Phenylenediacrylic acid diethyl ester
CAS Number:
17088-28-7
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
MDL Number:
MFCD00017521
IUPAC Name:
ethyl 3-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C16H18O4/c1-3-19-15(17)11-9-13-5-7-14(8-6-13)10-12-16(18)20-4-2/h5-12H,3-4H2,1-2H3
InChI Key:
QYGWZBFQWUBYAT-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)OCC
EC Number:
241-150-9
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
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