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119544-45-5 | 2-Propenoic acid, 3-(3-phenoxyphenyl)-, ethyl ester
CAS No: 119544-45-5 Catalog No: AG000IXR MDL No:
Product Description
Catalog Number:
AG000IXR
Chemical Name:
2-Propenoic acid, 3-(3-phenoxyphenyl)-, ethyl ester
CAS Number:
119544-45-5
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
IUPAC Name:
ethyl 3-(3-phenoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C17H16O3/c1-2-19-17(18)12-11-14-7-6-10-16(13-14)20-15-8-4-3-5-9-15/h3-13H,2H2,1H3
InChI Key:
OUNIMCYMWIVYPS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=Cc1cccc(c1)Oc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.312g/mol
Monoisotopic Mass:
268.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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