Home Carboxys 2-Benzo[1,3]dioxol-5-yl-oxazole-4-carboxylic acid

2-Benzo[1,3]dioxol-5-yl-oxazole-4-carboxylic acid

CAS No.:
885273-88-1
Catalog Number:
AG0089GZ
Molecular Formula:
C11H7NO5
Molecular Weight:
233.1770
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 96% (NMR)
1 week
United States
$213
- +
250mg
≥ 96% (NMR)
1 week
United States
$360
- +
1g
≥ 96% (NMR)
1 week
United States
$681
- +
Product Description
Catalog Number:
AG0089GZ
Chemical Name:
2-Benzo[1,3]dioxol-5-yl-oxazole-4-carboxylic acid
CAS Number:
885273-88-1
Molecular Formula:
C11H7NO5
Molecular Weight:
233.1770
MDL Number:
MFCD06796132
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carboxylic acid
InChI:
InChI=1S/C11H7NO5/c13-11(14)7-4-15-10(12-7)6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H,13,14)
InChI Key:
UACXQAZNLXMPKB-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc(n1)c1ccc2c(c1)OCO2
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.032g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.179g/mol
Monoisotopic Mass:
233.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties