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Ethyl n-boc-isoindoline-4-carboxylate

CAS No.:
1311254-39-3
Catalog Number:
AG000VL1
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$325
- +
1g
95%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG000VL1
Chemical Name:
Ethyl n-boc-isoindoline-4-carboxylate
CAS Number:
1311254-39-3
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD19382496
IUPAC Name:
2-O-tert-butyl 4-O-ethyl 1,3-dihydroisoindole-2,4-dicarboxylate
InChI:
InChI=1S/C16H21NO4/c1-5-20-14(18)12-8-6-7-11-9-17(10-13(11)12)15(19)21-16(2,3)4/h6-8H,5,9-10H2,1-4H3
InChI Key:
WJCGBQWIGRDTLW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc2c1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties