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101187-97-7 | 2-Naphthalenecarboxylic acid, 6,6'-[1,2-ethanediylbis(oxy)]bis-
CAS No: 101187-97-7 Catalog No: AG0003X0 MDL No:
Product Description
Catalog Number:
AG0003X0
Chemical Name:
2-Naphthalenecarboxylic acid, 6,6'-[1,2-ethanediylbis(oxy)]bis-
CAS Number:
101187-97-7
Molecular Formula:
C24H18O6
Molecular Weight:
402.3961
IUPAC Name:
6-[2-(6-carboxynaphthalen-2-yl)oxyethoxy]naphthalene-2-carboxylic acid
InChI:
InChI=1S/C24H18O6/c25-23(26)19-3-1-17-13-21(7-5-15(17)11-19)29-9-10-30-22-8-6-16-12-20(24(27)28)4-2-18(16)14-22/h1-8,11-14H,9-10H2,(H,25,26)(H,27,28)
InChI Key:
IUJMPBDJRAXYCK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccc(c2)OCCOc1ccc2c(c1)ccc(c2)C(=O)O
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.11g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.402g/mol
Monoisotopic Mass:
402.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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