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1233086-44-6 | 1H-Indole-1,2-dicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) 2-ethyl ester
CAS No: 1233086-44-6 Catalog No: AG000KB9 MDL No:MFCD21606645
Product Description
Catalog Number:
AG000KB9
Chemical Name:
1H-Indole-1,2-dicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) 2-ethyl ester
CAS Number:
1233086-44-6
Molecular Formula:
C17H21NO4
Molecular Weight:
303.3529
MDL Number:
MFCD21606645
IUPAC Name:
1-O-tert-butyl 2-O-ethyl 5-methylindole-1,2-dicarboxylate
InChI:
InChI=1S/C17H21NO4/c1-6-21-15(19)14-10-12-9-11(2)7-8-13(12)18(14)16(20)22-17(3,4)5/h7-10H,6H2,1-5H3
InChI Key:
GTUBBFJXLFYUAS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1C(=O)OC(C)(C)C)ccc(c2)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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