Benzeneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-


Chemical Name: Benzeneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number: 123036-51-1
Product Number: AG000JZW(AGN-PC-0KKOB0)
Synonyms:
MDL No: MFCD02682313
Molecular Formula: C13H17NO4
Molecular Weight: 251.2784

Identification/Properties


Properties
MP:
100-102 °C
BP:
355.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
251.282g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
251.116g/mol
Monoisotopic Mass:
251.116g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
309
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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