Home Carboxys Benzyl 3a,4-dihydro-3H-pyrrolo[3,4-c]isoxazole-5(6H)-carboxylate

Benzyl 3a,4-dihydro-3H-pyrrolo[3,4-c]isoxazole-5(6H)-carboxylate

CAS No.:
1463484-39-0
Catalog Number:
AG001DXF
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
- +
250mg
95%
In Stock USA
United States
$462
- +
1g
95%
In Stock USA
United States
$924
- +
5g
95%
In Stock USA
United States
$2772
- +
Product Description
Catalog Number:
AG001DXF
Chemical Name:
Benzyl 3a,4-dihydro-3H-pyrrolo[3,4-c]isoxazole-5(6H)-carboxylate
CAS Number:
1463484-39-0
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD29059372
IUPAC Name:
benzyl 3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate
InChI:
InChI=1S/C13H14N2O3/c16-13(17-8-10-4-2-1-3-5-10)15-6-11-9-18-14-12(11)7-15/h1-5,11H,6-9H2
InChI Key:
HDIIBLIJJMGOKC-UHFFFAOYSA-N
SMILES:
O=C(N1CC2=NOCC2C1)OCc1ccccc1
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties