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138344-18-0 | 1H-Indole-1-carboxylic acid, 6-methoxy-, 1,1-dimethylethyl ester
CAS No: 138344-18-0 Catalog No: AG0018LA MDL No:MFCD08272247
Product Description
Catalog Number:
AG0018LA
Chemical Name:
1H-Indole-1-carboxylic acid, 6-methoxy-, 1,1-dimethylethyl ester
CAS Number:
138344-18-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD08272247
IUPAC Name:
tert-butyl 6-methoxyindole-1-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-5-6-11(17-4)9-12(10)15/h5-9H,1-4H3
InChI Key:
OZWDNKUOSIOAPD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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