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88113-13-7 | 2-Butenoic acid, 4-[4-(4-methylphenoxy)phenyl]-4-oxo-, ethyl ester
CAS No: 88113-13-7 Catalog No: AG004E4U MDL No:
Product Description
Catalog Number:
AG004E4U
Chemical Name:
2-Butenoic acid, 4-[4-(4-methylphenoxy)phenyl]-4-oxo-, ethyl ester
CAS Number:
88113-13-7
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
ethyl 4-[4-(4-methylphenoxy)phenyl]-4-oxobut-2-enoate
InChI:
InChI=1S/C19H18O4/c1-3-22-19(21)13-12-18(20)15-6-10-17(11-7-15)23-16-8-4-14(2)5-9-16/h4-13H,3H2,1-2H3
InChI Key:
BNBCONDFTSULBI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC(=O)c1ccc(cc1)Oc1ccc(cc1)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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