Home Other Building Blocks 3-acetamido-4,5-dimethoxybenzoic acid

3-acetamido-4,5-dimethoxybenzoic acid

CAS No.:
871892-91-0
Catalog Number:
AG01AKUC
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AKUC
Chemical Name:
3-acetamido-4,5-dimethoxybenzoic acid
CAS Number:
871892-91-0
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
MDL Number:
MFCD20501914
IUPAC Name:
3-acetamido-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C11H13NO5/c1-6(13)12-8-4-7(11(14)15)5-9(16-2)10(8)17-3/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChI Key:
NWQXYLHJHBKEDW-UHFFFAOYSA-N
SMILES:
COc1c(NC(=O)C)cc(cc1OC)C(=O)O
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties