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1220039-51-9,MFCD09878912
Catalog No.:AA0016IB
1220039-51-9 | 1H-Indole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 6-methyl ester
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Purity
Availability
Price(USD)
Quantity
  
1g
97%
1 week  
$158.00
- +
5g
97%
1 week  
$406.00
- +
10g
97%
1 week  
$649.00
- +
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Technical Information
Catalog Number:
AA0016IB
Chemical Name:
1H-Indole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 6-methyl ester
CAS Number:
1220039-51-9
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
MDL Number:
MFCD09878912
IUPAC Name:
1-O-tert-butyl 6-O-methyl 2,3-dihydroindole-1,6-dicarboxylate
InChI:
InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-8-7-10-5-6-11(9-12(10)16)13(17)19-4/h5-6,9H,7-8H2,1-4H3
InChI Key:
NAMYXEGXVXXICU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)N(CC2)C(=O)OC(C)(C)C
Properties
Computed 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  

Synonyms
 
928771-49-7 
1-tert-butyl 6-methyl 2,3-dihydro-1H-indole-1,6-dicarboxylate 
MFCD09878912 
ZINC80443025 
AKOS016006351 
AM86153 
SS-6030 
AJ-123896 
TC-163878 
CS-0052358 
L-1756 
1-(tert-butyl) 6-methyl indoline-1,6-dicarboxylate 
2,3-dihydro-indole-1,6-dicarboxylic acid 1-tert-butyl ester 6-methyl ester 
F1907-2457 
1-O-tert-butyl 6-O-methyl 2,3-dihydroindole-1,6-dicarboxylate 
1-Tert-butyl 6-methyl indoline-1,6-dicarboxylate 
C15H19NO4 
1220039-51-9 
1H-Indole-1,6-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) 6-methyl ester 
SCHEMBL3571209 
KS-00002BIA 
DTXSID30735333 
NAMYXEGXVXXICU-UHFFFAOYSA-N 
5699AC 
ANW-75133 
Literature
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