Benzoic acid, 3-formyl-4-methoxy-


Chemical Name: Benzoic acid, 3-formyl-4-methoxy-
CAS Number: 91420-99-4
Product Number: AG003JI0(AGN-PC-025RHH)
Synonyms:
MDL No: MFCD12405165
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties


Properties
Storage:
2-8℃;Inert atmosphere;
Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
1.1
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-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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