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189324-96-7 | Benzoic acid, 4,4'-[2,7-naphthalenediylbis(oxy)]bis- (9CI)
CAS No: 189324-96-7 Catalog No: AG002IAJ MDL No:
Product Description
Catalog Number:
AG002IAJ
Chemical Name:
Benzoic acid, 4,4'-[2,7-naphthalenediylbis(oxy)]bis- (9CI)
CAS Number:
189324-96-7
Molecular Formula:
C24H16O6
Molecular Weight:
400.3802
IUPAC Name:
4-[7-(4-carboxyphenoxy)naphthalen-2-yl]oxybenzoic acid
InChI:
InChI=1S/C24H16O6/c25-23(26)16-3-7-19(8-4-16)29-21-11-1-15-2-12-22(14-18(15)13-21)30-20-9-5-17(6-10-20)24(27)28/h1-14H,(H,25,26)(H,27,28)
InChI Key:
LNNXGVQMXOOAED-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Oc1ccc2c(c1)cc(cc2)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.095g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.386g/mol
Monoisotopic Mass:
400.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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