Home Aminos 2-(carbamoylamino)benzoic acid

2-(carbamoylamino)benzoic acid

CAS No.:
610-68-4
Catalog Number:
AG01A9QL
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG01A9QL
Chemical Name:
2-(carbamoylamino)benzoic acid
CAS Number:
610-68-4
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD09046944
IUPAC Name:
2-(carbamoylamino)benzoic acid
InChI:
InChI=1S/C8H8N2O3/c9-8(13)10-6-4-2-1-3-5(6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
InChI Key:
WIVRIZOJCNHCPS-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccccc1C(=O)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties