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128-97-2 | 1,4,5,8-Naphthalenetetracarboxylic acid
CAS No: 128-97-2 Catalog No: AG000XO6 MDL No:MFCD00004012
Product Description
Catalog Number:
AG000XO6
Chemical Name:
1,4,5,8-Naphthalenetetracarboxylic acid
CAS Number:
128-97-2
Molecular Formula:
C14H8O8
Molecular Weight:
304.2085
MDL Number:
MFCD00004012
IUPAC Name:
naphthalene-1,4,5,8-tetracarboxylic acid
InChI:
InChI=1S/C14H8O8/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChI Key:
OLAPPGSPBNVTRF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1c(ccc2C(=O)O)C(=O)O)C(=O)O
EC Number:
204-924-7
UNII:
UNB96NX2F8
NSC Number:
66207
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.022g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
304.21g/mol
Monoisotopic Mass:
304.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| 4,5-Dicarb-oxy-naphthalene-1,8-dicarb-oxy-lic anhydride-1,10-phenanthroline (1/1). | Acta crystallographica. Section E, Structure reports online 20110201 |
| Naphthalene-1,4,5,8-tetra-carboxylic acid 1,8-anhydride-4,4'-bipyridine (1/1). | Acta crystallographica. Section E, Structure reports online 20091101 |
| The first coordination polymer of lanthanum(III) with a naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride derivative. | Acta crystallographica. Section C, Crystal structure communications 20080701 |
| Naphthalene amidine imide dyes by transamination of naphthalene bisimides. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060320 |
| Mechanism of 1,4,5,8-naphthalene tetracarboxylic acid dianhydride hydrolysis and formation in aqueous solution. | Organic & biomolecular chemistry 20060107 |
| Modulating charge transfer through cyclic D,L-alpha-peptide self-assembly. | Chemistry (Weinheim an der Bergstrasse, Germany) 20050204 |
| Evidence for pi-pi electron donor-acceptor interactions between pi-donor aromatic compounds and pi-acceptor sites in soil organic matter through pH effects on sorption. | Environmental science & technology 20040815 |
| Depsides and depsidones as inhibitors of HIV-1 integrase: discovery of novel inhibitors through 3D database searching. | Journal of medicinal chemistry 19970314 |
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