Benzenepropanoic acid, ethyl ester


Chemical Name: Benzenepropanoic acid, ethyl ester
CAS Number: 2021-28-5
Product Number: AG00282B(AGN-PC-0JKCRF)
Synonyms:
MDL No:
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties


Properties
BP:
247-249°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.494(lit.)
Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
178.099g/mol
Monoisotopic Mass:
178.099g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
148
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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