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1313237-54-5 | 1H-Indole-1,4-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS No: 1313237-54-5 Catalog No: AG000VXN MDL No:
Product Description
Catalog Number:
AG000VXN
Chemical Name:
1H-Indole-1,4-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS Number:
1313237-54-5
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
1-O-tert-butyl 4-O-methyl 2,3-dihydroindole-1,4-dicarboxylate
InChI:
InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-8-10-11(13(17)19-4)6-5-7-12(10)16/h5-7H,8-9H2,1-4H3
InChI Key:
XLTGPIXYOPKSCB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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