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163229-48-9 | 1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 163229-48-9 Catalog No: AG001TXN MDL No:MFCD05865115
Product Description
Catalog Number:
AG001TXN
Chemical Name:
1H-Indole-1,2-dicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
163229-48-9
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD05865115
IUPAC Name:
1-O-tert-butyl 2-O-methyl indole-1,2-dicarboxylate
InChI:
InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-11-8-6-5-7-10(11)9-12(16)13(17)19-4/h5-9H,1-4H3
InChI Key:
UJVYYFYNECMKRA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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