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Home Carboxys 4,5,6,7-Tetrahydro-1,2-benzisoxazole-3-carboxylic acid

4,5,6,7-Tetrahydro-1,2-benzisoxazole-3-carboxylic acid

CAS No.:
90005-77-9
Catalog Number:
AG00GVI6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$200
- +
1g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00GVI6
Chemical Name:
4,5,6,7-Tetrahydro-1,2-benzisoxazole-3-carboxylic acid
CAS Number:
90005-77-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD03701438
IUPAC Name:
4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H2,(H,10,11)
InChI Key:
JKHQSWWAHWCDFB-UHFFFAOYSA-N
SMILES:
OC(=O)c1noc2c1CCCC2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
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