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259267-44-2 | 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, undecyl ester, (2E)-
CAS No: 259267-44-2 Catalog No: AG002R33 MDL No:
Product Description
Catalog Number:
AG002R33
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, undecyl ester, (2E)-
CAS Number:
259267-44-2
Molecular Formula:
C21H32O4
Molecular Weight:
348.4764
IUPAC Name:
undecyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-11-16-25-21(23)15-13-18-12-14-19(22)20(17-18)24-2/h12-15,17,22H,3-11,16H2,1-2H3
InChI Key:
APDRVAYWVPTPAM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOC(=O)/C=C/c1ccc(c(c1)OC)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.23g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.483g/mol
Monoisotopic Mass:
348.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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