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Home Carboxys 1,3-Benzodioxole-4-carboxylic acid

1,3-Benzodioxole-4-carboxylic acid

CAS No.:
5768-39-8
Catalog Number:
AG003DH3
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
10g
97%
In Stock USA
United States
$400
- +
25g
97%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG003DH3
Chemical Name:
1,3-Benzodioxole-4-carboxylic acid
CAS Number:
5768-39-8
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD01076411
IUPAC Name:
1,3-benzodioxole-4-carboxylic acid
InChI:
InChI=1S/C8H6O4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H,9,10)
InChI Key:
DBUAYOWCIUQXQW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1OCO2
NSC Number:
201536
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.132g/mol
Monoisotopic Mass:
166.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
ATR-FTIR spectroscopy detects alterations induced by organotin(IV) carboxylates in MCF-7 cells at sub-cytotoxic/-genotoxic concentrations. PMC biophysics 20080101
Properties