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790224-20-3 | 2-Hexenedioic acid, 5-benzoyl-, diethyl ester, (2E)-
CAS No: 790224-20-3 Catalog No: AG005CDF MDL No:
Product Description
Catalog Number:
AG005CDF
Chemical Name:
2-Hexenedioic acid, 5-benzoyl-, diethyl ester, (2E)-
CAS Number:
790224-20-3
Molecular Formula:
C17H20O5
Molecular Weight:
304.3377
IUPAC Name:
diethyl 5-benzoylhex-2-enedioate
InChI:
InChI=1S/C17H20O5/c1-3-21-15(18)12-8-11-14(17(20)22-4-2)16(19)13-9-6-5-7-10-13/h5-10,12,14H,3-4,11H2,1-2H3
InChI Key:
UWYCIIWUQSLOLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1ccccc1)C/C=C/C(=O)OCC
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.342g/mol
Monoisotopic Mass:
304.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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