Benzeneacetic acid, a-amino-4-carboxy-, (aS)-


Chemical Name: Benzeneacetic acid, a-amino-4-carboxy-, (aS)-
CAS Number: 134052-73-6
Product Number: AG00392F(AGN-PC-0PK6KD)
Synonyms:
MDL No: MFCD00216831
Molecular Formula: C9H9NO4
Molecular Weight: 195.1721

Identification/Properties


Computed Properties
Molecular Weight:
195.174g/mol
XLogP3:
-2.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
195.053g/mol
Monoisotopic Mass:
195.053g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
233
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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