2,6-Naphthalenedicarboxylic acid


Chemical Name: 2,6-Naphthalenedicarboxylic acid
CAS Number: 1141-38-4
Product Number: AG000AKC(AGN-PC-0JKBP6)
Synonyms:
MDL No:
Molecular Formula: C12H8O4
Molecular Weight: 216.1895

Identification/Properties


Computed Properties
Molecular Weight:
216.192g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
216.042g/mol
Monoisotopic Mass:
216.042g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
269
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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