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143827-58-1 | Acetic acid, 2-[2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]-
CAS No: 143827-58-1 Catalog No: AG001IFC MDL No:
Product Description
Catalog Number:
AG001IFC
Chemical Name:
Acetic acid, 2-[2-methoxy-4-[[(1-oxononyl)amino]methyl]phenoxy]-
CAS Number:
143827-58-1
Molecular Formula:
C19H29NO5
Molecular Weight:
351.4373
IUPAC Name:
2-[2-methoxy-4-[(nonanoylamino)methyl]phenoxy]acetic acid
InChI:
InChI=1S/C19H29NO5/c1-3-4-5-6-7-8-9-18(21)20-13-15-10-11-16(17(12-15)24-2)25-14-19(22)23/h10-12H,3-9,13-14H2,1-2H3,(H,20,21)(H,22,23)
InChI Key:
ZYDUQNVNMISLAA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)NCc1ccc(c(c1)OC)OCC(=O)O
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.443g/mol
Monoisotopic Mass:
351.205g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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