Home Carboxys 1,3-benzoxazole-5-carboxylic acid

1,3-benzoxazole-5-carboxylic acid

CAS No.:
15112-41-1
Catalog Number:
AG001N45
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$125
- +
5g
97%
In Stock USA
United States
$438
- +
10g
97%
In Stock USA
United States
$657
- +
25g
97%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG001N45
Chemical Name:
1,3-benzoxazole-5-carboxylic acid
CAS Number:
15112-41-1
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD09954950
IUPAC Name:
1,3-benzoxazole-5-carboxylic acid
InChI:
InChI=1S/C8H5NO3/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11)
InChI Key:
WJBOXEGAWJHKIM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nco2
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:
1.1  
Properties