4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid


Chemical Name: 4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CAS Number: 33233-67-9
Product Number: AG00I6H8(AGN-PC-01VHRZ)
Synonyms:
MDL No: MFCD00228182
Molecular Formula: C13H17NO4
Molecular Weight: 251.2784

Identification/Properties


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:
301
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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