2-Naphthalenecarboxylic acid, 1,3-dihydroxy-, ethyl ester


Chemical Name: 2-Naphthalenecarboxylic acid, 1,3-dihydroxy-, ethyl ester
CAS Number: 6843-89-6
Product Number: AG003Q0A(AGN-PC-0JOLAK)
Synonyms:
MDL No:
Molecular Formula: C13H12O4
Molecular Weight: 232.2320

Identification/Properties


Properties
BP:
375.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Computed Properties
Molecular Weight:
232.235g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
232.074g/mol
Monoisotopic Mass:
232.074g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
279
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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