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137911-05-8 | 2-Propenoic acid, 3-[4-[(11-hydroxyundecyl)oxy]phenyl]-, (E)- (9CI)
CAS No: 137911-05-8 Catalog No: AG001431 MDL No:
Product Description
Catalog Number:
AG001431
Chemical Name:
2-Propenoic acid, 3-[4-[(11-hydroxyundecyl)oxy]phenyl]-, (E)- (9CI)
CAS Number:
137911-05-8
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
IUPAC Name:
3-[4-(11-hydroxyundecoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C20H30O4/c21-16-8-6-4-2-1-3-5-7-9-17-24-19-13-10-18(11-14-19)12-15-20(22)23/h10-15,21H,1-9,16-17H2,(H,22,23)
InChI Key:
NTHAVQSWRQDKJY-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCOc1ccc(cc1)/C=C/C(=O)O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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