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140435-52-5 | Nonanoic acid, 2-(6-methoxy-2-naphthalenyl)-2-oxoethyl ester
CAS No: 140435-52-5 Catalog No: AG001CFJ MDL No:
Product Description
Catalog Number:
AG001CFJ
Chemical Name:
Nonanoic acid, 2-(6-methoxy-2-naphthalenyl)-2-oxoethyl ester
CAS Number:
140435-52-5
Molecular Formula:
C22H28O4
Molecular Weight:
356.4553
IUPAC Name:
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] nonanoate
InChI:
InChI=1S/C22H28O4/c1-3-4-5-6-7-8-9-22(24)26-16-21(23)19-11-10-18-15-20(25-2)13-12-17(18)14-19/h10-15H,3-9,16H2,1-2H3
InChI Key:
ZGELLKUGTITFKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OCC(=O)c1ccc2c(c1)ccc(c2)OC
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.462g/mol
Monoisotopic Mass:
356.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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