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2169-87-1 | Naphthalene-2,3-dicarboxylic acid
CAS No: 2169-87-1 Catalog No: AG003FL0 MDL No:MFCD00004104
Product Description
Catalog Number:
AG003FL0
Chemical Name:
Naphthalene-2,3-dicarboxylic acid
CAS Number:
2169-87-1
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
MDL Number:
MFCD00004104
IUPAC Name:
naphthalene-2,3-dicarboxylic acid
InChI:
InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChI Key:
KHARCSTZAGNHOT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2ccccc2cc1C(=O)O
EC Number:
218-517-7
NSC Number:
16063
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Ag(I) and Zn(II) coordination polymers with a bulky naphthalene-based dicarboxyl tecton and different 4,4'-bipyridyl-like bridging co-ligands: structural regulation and properties. | Dalton transactions (Cambridge, England : 2003) 20110507 |
| Degradation of phenanthrene and anthracene by Nocardia otitidiscaviarum strain TSH1, a moderately thermophilic bacterium. | Journal of applied microbiology 20080801 |
| Synthesis and characterization of coronanes: multicyclopropane-fused macrocyclic arrays. | The Journal of organic chemistry 20010406 |
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