Home Carboxys 2,1-Benzisoxazole-3-carboxylic acid

2,1-Benzisoxazole-3-carboxylic acid

CAS No.:
642-91-1
Catalog Number:
AG0039YT
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$49
- +
250mg
95%
In Stock USA
United States
$82
- +
1g
95%
In Stock USA
United States
$163
- +
5g
98%
In Stock USA
United States
$563
- +
10g
98%
In Stock USA
United States
$938
- +
25g
98%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG0039YT
Chemical Name:
2,1-Benzisoxazole-3-carboxylic acid
CAS Number:
642-91-1
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD02180526
IUPAC Name:
2,1-benzoxazole-3-carboxylic acid
InChI:
InChI=1S/C8H5NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H,(H,10,11)
InChI Key:
PHYDLUSJJFZNFG-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc2c1cccc2
UNII:
OF3RAC7IV3
NSC Number:
86917
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties