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

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

CAS No.:
1212304-58-9
Catalog Number:
AG019XC0
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
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Product Description
Catalog Number:
AG019XC0
Chemical Name:
2-benzyl-5-methyl-1,3-dioxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylic acid
CAS Number:
1212304-58-9
Molecular Formula:
C17H17NO4
Molecular Weight:
299.3212
MDL Number:
MFCD13196094
IUPAC Name:
2-benzyl-5-methyl-1,3-dioxo-3a,4,5,7a-tetrahydroisoindole-4-carboxylic acid
InChI:
InChI=1S/C17H17NO4/c1-10-7-8-12-14(13(10)17(21)22)16(20)18(15(12)19)9-11-5-3-2-4-6-11/h2-8,10,12-14H,9H2,1H3,(H,21,22)
InChI Key:
UCZUDAKVCZKMKS-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccccc2)C(=O)C2C1C(C(=O)O)C(C)C=C2
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.116g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.326g/mol
Monoisotopic Mass:
299.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties