Home Carbonyls Benzoic acid, 3-[(methylamino)carbonyl]-

Benzoic acid, 3-[(methylamino)carbonyl]-

CAS No.:
23754-43-0
Catalog Number:
AG006V46
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG006V46
Chemical Name:
Benzoic acid, 3-[(methylamino)carbonyl]-
CAS Number:
23754-43-0
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD12173484
IUPAC Name:
3-(methylcarbamoyl)benzoic acid
InChI:
InChI=1S/C9H9NO3/c1-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChI Key:
ISDXXBVYCIDTIV-UHFFFAOYSA-N
SMILES:
CNC(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties