Home Aminos Benzoic acid, 3,4-bis(acetylamino)-

Benzoic acid, 3,4-bis(acetylamino)-

CAS No.:
205873-56-9
Catalog Number:
AG002ADX
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002ADX
Chemical Name:
Benzoic acid, 3,4-bis(acetylamino)-
CAS Number:
205873-56-9
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD00238577
IUPAC Name:
3,4-diacetamidobenzoic acid
InChI:
InChI=1S/C11H12N2O4/c1-6(14)12-9-4-3-8(11(16)17)5-10(9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChI Key:
GHTLCMPYQOFKCS-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(ccc1NC(=O)C)C(=O)O
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties