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Home Carboxys 6-Bromocoumarin-3-carboxylic acid

6-Bromocoumarin-3-carboxylic acid

CAS No.:
2199-87-3
Catalog Number:
AG003N4P
Molecular Formula:
C10H5BrO4
Molecular Weight:
269.0483
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$39
- +
25g
98%
In Stock USA
United States
$167
- +
100g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003N4P
Chemical Name:
6-Bromocoumarin-3-carboxylic acid
CAS Number:
2199-87-3
Molecular Formula:
C10H5BrO4
Molecular Weight:
269.0483
MDL Number:
MFCD00047640
IUPAC Name:
6-bromo-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)
InChI Key:
XFQHPAXNKDYMOX-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(c(=O)o2)C(=O)O
Properties
Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.937g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.05g/mol
Monoisotopic Mass:
267.937g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Coumarin-3-carboxylic acid derivatives as potentiators and inhibitors of recombinant and native N-methyl-D-aspartate receptors. Neurochemistry international 20120901
A novel family of negative and positive allosteric modulators of NMDA receptors. The Journal of pharmacology and experimental therapeutics 20101201
Properties