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129822-49-7 | 1H-Indole-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester
CAS No: 129822-49-7 Catalog No: AG000TPI MDL No:
Product Description
Catalog Number:
AG000TPI
Chemical Name:
1H-Indole-1-carboxylic acid, 5-methyl-, 1,1-dimethylethyl ester
CAS Number:
129822-49-7
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
tert-butyl 5-methylindole-1-carboxylate
InChI:
InChI=1S/C14H17NO2/c1-10-5-6-12-11(9-10)7-8-15(12)13(16)17-14(2,3)4/h5-9H,1-4H3
InChI Key:
NSPCCUXHOQOAJQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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