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202344-11-4 | 2-Propenoic acid, 3-(2-phenylethoxy)-, ethyl ester, (2E)-
CAS No: 202344-11-4 Catalog No: AG00286R MDL No:
Product Description
Catalog Number:
AG00286R
Chemical Name:
2-Propenoic acid, 3-(2-phenylethoxy)-, ethyl ester, (2E)-
CAS Number:
202344-11-4
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
ethyl 3-(2-phenylethoxy)prop-2-enoate
InChI:
InChI=1S/C13H16O3/c1-2-16-13(14)9-11-15-10-8-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3
InChI Key:
WISASEKIBJBUHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/OCCc1ccccc1
Properties
Complexity:
217
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:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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