Home Aminos 4-amino-3-[(methylcarbamoyl)methoxy]benzoic acid

4-amino-3-[(methylcarbamoyl)methoxy]benzoic acid

CAS No.:
1096900-75-2
Catalog Number:
AG01BV99
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
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Product Description
Catalog Number:
AG01BV99
Chemical Name:
4-amino-3-[(methylcarbamoyl)methoxy]benzoic acid
CAS Number:
1096900-75-2
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD12168724
IUPAC Name:
4-amino-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
InChI:
InChI=1S/C10H12N2O4/c1-12-9(13)5-16-8-4-6(10(14)15)2-3-7(8)11/h2-4H,5,11H2,1H3,(H,12,13)(H,14,15)
InChI Key:
RWIULJUUTVUQEV-UHFFFAOYSA-N
SMILES:
CNC(=O)COc1cc(ccc1N)C(=O)O
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties