Benzeneacetic acid, 3-nitro-, methyl ester


Chemical Name: Benzeneacetic acid, 3-nitro-, methyl ester
CAS Number: 10268-12-9
Product Number: AG00083P(AGN-PC-0JSD8F)
Synonyms:
MDL No: MFCD08669939
Molecular Formula: C9H9NO4
Molecular Weight: 195.1721

Identification/Properties


Properties
MP:
28 °C
BP:
305.8±17.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
195.174g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
195.053g/mol
Monoisotopic Mass:
195.053g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
223
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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