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Home Carboxys 1,4,5,8-Naphthalenetetracarboxylic acid

1,4,5,8-Naphthalenetetracarboxylic acid

CAS No.:
128-97-2
Catalog Number:
AG000XO6
Molecular Formula:
C14H8O8
Molecular Weight:
304.2085
Pack Size
Purity
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1g
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$39
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5g
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$62
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25g
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$148
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100g
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$318
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250g
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$704
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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
Properties