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116519-41-6 | 2-Propenoic acid, 3-ethoxy-3-phenyl-, ethyl ester
CAS No: 116519-41-6 Catalog No: AG000COZ MDL No:
Product Description
Catalog Number:
AG000COZ
Chemical Name:
2-Propenoic acid, 3-ethoxy-3-phenyl-, ethyl ester
CAS Number:
116519-41-6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
ethyl 3-ethoxy-3-phenylprop-2-enoate
InChI:
InChI=1S/C13H16O3/c1-3-15-12(10-13(14)16-4-2)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChI Key:
JDUYRHOPIWREKP-UHFFFAOYSA-N
SMILES:
CCOC(=CC(=O)OCC)c1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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