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1311254-39-3 | 2H-Isoindole-2,4-dicarboxylic acid, 1,3-dihydro-, 2-(1,1-dimethylethyl) 4-ethyl ester
CAS No: 1311254-39-3 Catalog No: AG000VL1 MDL No:
Product Description
Catalog Number:
AG000VL1
Chemical Name:
2H-Isoindole-2,4-dicarboxylic acid, 1,3-dihydro-, 2-(1,1-dimethylethyl) 4-ethyl ester
CAS Number:
1311254-39-3
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
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
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