Home Carboxys 2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic acid

2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic acid

CAS No.:
54903-16-1
Catalog Number:
AG00DCLT
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$141
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Product Description
Catalog Number:
AG00DCLT
Chemical Name:
2-Oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic acid
CAS Number:
54903-16-1
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD11179328
IUPAC Name:
2-oxo-3H-1,3-benzoxazole-6-carboxylic acid
InChI:
InChI=1S/C8H5NO4/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
InChI Key:
BZRKWTCIDCRBMY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)oc(=O)[nH]2
NSC Number:
690677
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties