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

4-[(carbamoylimino)amino]benzoic acid

CAS No.:
41779-98-0
Catalog Number:
AG01B2LI
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
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Product Description
Catalog Number:
AG01B2LI
Chemical Name:
4-[(carbamoylimino)amino]benzoic acid
CAS Number:
41779-98-0
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD20639821
IUPAC Name:
4-(carbamoyldiazenyl)benzoic acid
InChI:
InChI=1S/C8H7N3O3/c9-8(14)11-10-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,9,14)(H,12,13)
InChI Key:
XYVLKKQXBCNPIH-UHFFFAOYSA-N
SMILES:
NC(=O)N=Nc1ccc(cc1)C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties