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138771-05-8 | 2-Propenoic acid, 3-(2-ethoxy-4-methoxy-5-propylphenyl)-
CAS No: 138771-05-8 Catalog No: AG0019IU MDL No:
Product Description
Catalog Number:
AG0019IU
Chemical Name:
2-Propenoic acid, 3-(2-ethoxy-4-methoxy-5-propylphenyl)-
CAS Number:
138771-05-8
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
3-(2-ethoxy-4-methoxy-5-propylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C15H20O4/c1-4-6-11-9-12(7-8-15(16)17)14(19-5-2)10-13(11)18-3/h7-10H,4-6H2,1-3H3,(H,16,17)
InChI Key:
LPRHVGQAENHVDG-UHFFFAOYSA-N
SMILES:
CCCc1cc(C=CC(=O)O)c(cc1OC)OCC
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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