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177200-89-4 | 1H-Indole-1,3-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 177200-89-4 Catalog No: AG00256J MDL No:MFCD26743654
Product Description
Catalog Number:
AG00256J
Chemical Name:
1H-Indole-1,3-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
177200-89-4
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD26743654
IUPAC Name:
1-O-tert-butyl 3-O-ethyl 2,3-dihydroindole-1,3-dicarboxylate
InChI:
InChI=1S/C16H21NO4/c1-5-20-14(18)12-10-17(15(19)21-16(2,3)4)13-9-7-6-8-11(12)13/h6-9,12H,5,10H2,1-4H3
InChI Key:
KAJGHMDWJPWJDY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(c2c1cccc2)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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