Home Aminos 3-amino-5-carbamoylbenzoic acid

3-amino-5-carbamoylbenzoic acid

CAS No.:
132640-26-7
Catalog Number:
AG01BBC7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG01BBC7
Chemical Name:
3-amino-5-carbamoylbenzoic acid
CAS Number:
132640-26-7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD17276577
IUPAC Name:
3-amino-5-carbamoylbenzoic acid
InChI:
InChI=1S/C8H8N2O3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H2,10,11)(H,12,13)
InChI Key:
XHLMMVDCYIXUAX-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)C(=O)O)C(=O)N
Properties
Complexity:
229  
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:
4  
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:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties