Home Carboxys 2H-Isoindole-2-carboxylic acid, octahydro-5-oxo-, 1,1-dimethylethyl ester

2H-Isoindole-2-carboxylic acid, octahydro-5-oxo-, 1,1-dimethylethyl ester

CAS No.:
203661-68-1
Catalog Number:
AG002924
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
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Product Description
Catalog Number:
AG002924
Chemical Name:
2H-Isoindole-2-carboxylic acid, octahydro-5-oxo-, 1,1-dimethylethyl ester
CAS Number:
203661-68-1
Molecular Formula:
C13H21NO3
Molecular Weight:
239.3107
MDL Number:
MFCD23105947
IUPAC Name:
tert-butyl 6-oxo-3,3a,4,5,7,7a-hexahydro-1H-isoindole-2-carboxylate
InChI:
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-4-5-11(15)6-10(9)8-14/h9-10H,4-8H2,1-3H3
InChI Key:
KEEXIHAGXWAFOF-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.152g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.315g/mol
Monoisotopic Mass:
239.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties