Home Aminos 2-amino-3-carbamoylbenzoic acid

2-amino-3-carbamoylbenzoic acid

CAS No.:
1820747-73-6
Catalog Number:
AG01BBHC
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BBHC
Chemical Name:
2-amino-3-carbamoylbenzoic acid
CAS Number:
1820747-73-6
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD29033782
IUPAC Name:
2-amino-3-carbamoylbenzoic acid
InChI:
InChI=1S/C8H8N2O3/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H2,10,11)(H,12,13)
InChI Key:
MCLACYRKCABKFH-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc(c1N)C(=O)O
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:
0.2  
Properties