Home Carboxys tert-Butyl 4-hydroxyisoindoline-2-carboxylate

tert-Butyl 4-hydroxyisoindoline-2-carboxylate

CAS No.:
871013-92-2
Catalog Number:
AG0039XB
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$442
- +
5g
97%
1 week
United States
$1291
- +
Product Description
Catalog Number:
AG0039XB
Chemical Name:
tert-Butyl 4-hydroxyisoindoline-2-carboxylate
CAS Number:
871013-92-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD10700131
IUPAC Name:
tert-butyl 4-hydroxy-1,3-dihydroisoindole-2-carboxylate
InChI:
InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-11(15)10(9)8-14/h4-6,15H,7-8H2,1-3H3
InChI Key:
KAWGDHUTSZFFIP-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cccc2O)OC(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties