Home Carboxys 4-[(carboxymethyl)amino]benzoic acid

4-[(carboxymethyl)amino]benzoic acid

CAS No.:
5698-54-4
Catalog Number:
AG019VKD
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG019VKD
Chemical Name:
4-[(carboxymethyl)amino]benzoic acid
CAS Number:
5698-54-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD01014168
IUPAC Name:
4-(carboxymethylamino)benzoic acid
InChI:
InChI=1S/C9H9NO4/c11-8(12)5-10-7-3-1-6(2-4-7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14)
InChI Key:
YJEYSNOXMPDLJC-UHFFFAOYSA-N
SMILES:
OC(=O)CNc1ccc(cc1)C(=O)O
NSC Number:
14973
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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