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89861-29-0 | 4-Pentenoic acid, 5,5-bis(4-methoxyphenyl)-3-oxo-, ethyl ester
CAS No: 89861-29-0 Catalog No: AG003XCH MDL No:
Product Description
Catalog Number:
AG003XCH
Chemical Name:
4-Pentenoic acid, 5,5-bis(4-methoxyphenyl)-3-oxo-, ethyl ester
CAS Number:
89861-29-0
Molecular Formula:
C21H22O5
Molecular Weight:
354.3964
IUPAC Name:
ethyl 5,5-bis(4-methoxyphenyl)-3-oxopent-4-enoate
InChI:
InChI=1S/C21H22O5/c1-4-26-21(23)14-17(22)13-20(15-5-9-18(24-2)10-6-15)16-7-11-19(25-3)12-8-16/h5-13H,4,14H2,1-3H3
InChI Key:
QQLGZWHFCGVVIN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C=C(c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.402g/mol
Monoisotopic Mass:
354.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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