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1141-38-4 | 2,6-NAPHTHALENEDICARBOXYLIC ACID
CAS No: 1141-38-4 Catalog No: AG000AKC MDL No:MFCD00004105
Product Description
Catalog Number:
AG000AKC
Chemical Name:
2,6-NAPHTHALENEDICARBOXYLIC ACID
CAS Number:
1141-38-4
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
MDL Number:
MFCD00004105
IUPAC Name:
naphthalene-2,6-dicarboxylic acid
InChI:
InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
InChI Key:
RXOHFPCZGPKIRD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ccc(c2)C(=O)O
EC Number:
214-527-0
UNII:
K3C4DYZ29O
NSC Number:
96410
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:
2.8
Literature
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| Distinct differences in self-assembly of aromatic linear dicarboxylic acids. | Langmuir : the ACS journal of surfaces and colloids 20090120 |
| Framework reduction and alkali-metal doping of a triply catenating metal-organic framework enhances and then diminishes H2 uptake. | Langmuir : the ACS journal of surfaces and colloids 20090106 |
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