Benzoic acid, 5-formyl-2-hydroxy-, methyl ester


Chemical Name: Benzoic acid, 5-formyl-2-hydroxy-, methyl ester
CAS Number: 41489-76-3
Product Number: AG003RXT(AGN-PC-00166Y)
Synonyms:
MDL No: MFCD03840784
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Properties
MP:
79.0 to 83.0 °C
BP:
294.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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