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Home > Aldehydes > 1369055-82-2
1369055-82-2 | 1H-Indole-3-carboxaldehyde, 5-(1,1-dimethylethyl)-
CAS No: 1369055-82-2 Catalog No: AG0012JC MDL No:MFCD21985552
Product Description
Catalog Number:
AG0012JC
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-(1,1-dimethylethyl)-
CAS Number:
1369055-82-2
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD21985552
IUPAC Name:
5-tert-butyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C13H15NO/c1-13(2,3)10-4-5-12-11(6-10)9(8-15)7-14-12/h4-8,14H,1-3H3
InChI Key:
HTONYGNSUGDWPU-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(cc2)C(C)(C)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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