Home Carboxys Methyl benzo[d]isoxazole-3-carboxylate

Methyl benzo[d]isoxazole-3-carboxylate

CAS No.:
1082682-56-1
Catalog Number:
AG0095WC
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$46
- +
250mg
95%
In Stock USA
United States
$89
- +
1g
95%
In Stock USA
United States
$177
- +
5g
95%
In Stock USA
United States
$530
- +
Product Description
Catalog Number:
AG0095WC
Chemical Name:
Methyl benzo[d]isoxazole-3-carboxylate
CAS Number:
1082682-56-1
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD21362332
IUPAC Name:
methyl 1,2-benzoxazole-3-carboxylate
InChI:
InChI=1S/C9H7NO3/c1-12-9(11)8-6-4-2-3-5-7(6)13-10-8/h2-5H,1H3
InChI Key:
UJTKCKAJUPJNFM-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc2c1cccc2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties