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1255098-54-4 | 1H-Indole-1,2-dicarboxylic acid, 2,3-dihydro-6-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 1255098-54-4 Catalog No: AG000NS3 MDL No:
Product Description
Catalog Number:
AG000NS3
Chemical Name:
1H-Indole-1,2-dicarboxylic acid, 2,3-dihydro-6-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
1255098-54-4
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
IUPAC Name:
1-O-tert-butyl 2-O-methyl 6-hydroxy-2,3-dihydroindole-1,2-dicarboxylate
InChI:
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-11-8-10(17)6-5-9(11)7-12(16)13(18)20-4/h5-6,8,12,17H,7H2,1-4H3
InChI Key:
MGEQMUYQRDRBHF-UHFFFAOYSA-N
SMILES:
COC(=O)C1Cc2c(N1C(=O)OC(C)(C)C)cc(cc2)O
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.319g/mol
Monoisotopic Mass:
293.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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