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88522-00-3 | Propanoic acid, 2-[4-(1-oxo-3-phenyl-2-propenyl)phenoxy]-, ethyl ester
CAS No: 88522-00-3 Catalog No: AG00482A MDL No:
Product Description
Catalog Number:
AG00482A
Chemical Name:
Propanoic acid, 2-[4-(1-oxo-3-phenyl-2-propenyl)phenoxy]-, ethyl ester
CAS Number:
88522-00-3
Molecular Formula:
C20H20O4
Molecular Weight:
324.3704
IUPAC Name:
ethyl 2-[4-(3-phenylprop-2-enoyl)phenoxy]propanoate
InChI:
InChI=1S/C20H20O4/c1-3-23-20(22)15(2)24-18-12-10-17(11-13-18)19(21)14-9-16-7-5-4-6-8-16/h4-15H,3H2,1-2H3
InChI Key:
QPNKCTGJADTNAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)C(=O)C=Cc1ccccc1)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.376g/mol
Monoisotopic Mass:
324.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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