Benzoic acid, 4-methoxy-, ethyl ester


Chemical Name: Benzoic acid, 4-methoxy-, ethyl ester
CAS Number: 94-30-4
Product Number: AG003LN9(AGN-PC-0BMTXR)
Synonyms:
MDL No:
Molecular Formula: C10H12O3
Molecular Weight: 180.2005

Identification/Properties


Properties
MP:
7-8 °C(lit.);
BP:
292.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.524(lit.)
Computed Properties
Molecular Weight:
180.203g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
180.079g/mol
Monoisotopic Mass:
180.079g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
160
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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