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Home Carboxys 6-Amino-1,3-benzodioxole-5-carboxylic acid

6-Amino-1,3-benzodioxole-5-carboxylic acid

CAS No.:
20332-16-5
Catalog Number:
AG0028UB
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$191
- +
1g
95%
1 week
United States
$421
- +
Product Description
Catalog Number:
AG0028UB
Chemical Name:
6-Amino-1,3-benzodioxole-5-carboxylic acid
CAS Number:
20332-16-5
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00016650
IUPAC Name:
6-amino-1,3-benzodioxole-5-carboxylic acid
InChI:
InChI=1S/C8H7NO4/c9-5-2-7-6(12-3-13-7)1-4(5)8(10)11/h1-2H,3,9H2,(H,10,11)
InChI Key:
OJTOAMSTANUUMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2OCOc2cc1N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties