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89378-43-8 | tert-Butyl 3-methyl-1H-indole-1-carboxylate
CAS No: 89378-43-8 Catalog No: AG003WMG MDL No:MFCD13563142
Product Description
Catalog Number:
AG003WMG
Chemical Name:
tert-Butyl 3-methyl-1H-indole-1-carboxylate
CAS Number:
89378-43-8
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD13563142
IUPAC Name:
tert-butyl 3-methylindole-1-carboxylate
InChI:
InChI=1S/C14H17NO2/c1-10-9-15(13(16)17-14(2,3)4)12-8-6-5-7-11(10)12/h5-9H,1-4H3
InChI Key:
SMURSSZMVCOKOO-UHFFFAOYSA-N
SMILES:
Cc1cn(c2c1cccc2)C(=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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