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117172-48-2 | 2-Propenoic acid, 3-(methoxyphenyl)-, octyl ester (9CI)
CAS No: 117172-48-2 Catalog No: AG000DU8 MDL No:
Product Description
Catalog Number:
AG000DU8
Chemical Name:
2-Propenoic acid, 3-(methoxyphenyl)-, octyl ester (9CI)
CAS Number:
117172-48-2
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
octyl 3-(2-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C18H26O3/c1-3-4-5-6-7-10-15-21-18(19)14-13-16-11-8-9-12-17(16)20-2/h8-9,11-14H,3-7,10,15H2,1-2H3
InChI Key:
IISAXLAWYUMIMM-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)C=Cc1ccccc1OC
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
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