Home Carboxys 2,5-dimethyl-1,3-dioxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid

2,5-dimethyl-1,3-dioxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid

CAS No.:
1212094-55-7
Catalog Number:
AG019XCL
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG019XCL
Chemical Name:
2,5-dimethyl-1,3-dioxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid
CAS Number:
1212094-55-7
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD13196103
IUPAC Name:
2,5-dimethyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid
InChI:
InChI=1S/C11H13NO4/c1-5-3-4-6-8(7(5)11(15)16)10(14)12(2)9(6)13/h3-8H,1-2H3,(H,15,16)
InChI Key:
YBXNMONUYRGZGV-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C)C=CC2C1C(=O)N(C2=O)C
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties