Home Aminos 3-[(tert-butylcarbamoyl)amino]benzoic acid

3-[(tert-butylcarbamoyl)amino]benzoic acid

CAS No.:
501679-02-3
Catalog Number:
AG01AKKI
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
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Product Description
Catalog Number:
AG01AKKI
Chemical Name:
3-[(tert-butylcarbamoyl)amino]benzoic acid
CAS Number:
501679-02-3
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD11171982
IUPAC Name:
3-(tert-butylcarbamoylamino)benzoic acid
InChI:
InChI=1S/C12H16N2O3/c1-12(2,3)14-11(17)13-9-6-4-5-8(7-9)10(15)16/h4-7H,1-3H3,(H,15,16)(H2,13,14,17)
InChI Key:
LBDSQGPMOHWZSP-UHFFFAOYSA-N
SMILES:
O=C(NC(C)(C)C)Nc1cccc(c1)C(=O)O
NSC Number:
213629
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties