Benzoic acid, 3-formyl-5-nitro-, methyl ester


Chemical Name: Benzoic acid, 3-formyl-5-nitro-, methyl ester
CAS Number: 172899-78-4
Product Number: AG003RSA(AGN-PC-0NBJQN)
Synonyms:
MDL No: MFCD08275105
Molecular Formula: C9H7NO5
Molecular Weight: 209.1556

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
209.157g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
209.032g/mol
Monoisotopic Mass:
209.032g/mol
Topological Polar Surface Area:
89.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
272
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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