Home Aminos 4-[(carbamoylmethyl)amino]benzoic acid

4-[(carbamoylmethyl)amino]benzoic acid

CAS No.:
86364-40-1
Catalog Number:
AG019VHJ
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
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Product Description
Catalog Number:
AG019VHJ
Chemical Name:
4-[(carbamoylmethyl)amino]benzoic acid
CAS Number:
86364-40-1
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
MDL Number:
MFCD12197178
IUPAC Name:
4-[(2-amino-2-oxoethyl)amino]benzoic acid
InChI:
InChI=1S/C9H10N2O3/c10-8(12)5-11-7-3-1-6(2-4-7)9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14)
InChI Key:
XOMZHUGJFNYGBK-UHFFFAOYSA-N
SMILES:
NC(=O)CNc1ccc(cc1)C(=O)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties