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83164-31-2 | 3-Indolizinecarboxaldehyde, 2-(1,1-dimethylethyl)-
CAS No: 83164-31-2 Catalog No: AG004VPA MDL No:MFCD08056206
Product Description
Catalog Number:
AG004VPA
Chemical Name:
3-Indolizinecarboxaldehyde, 2-(1,1-dimethylethyl)-
CAS Number:
83164-31-2
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD08056206
IUPAC Name:
2-tert-butylindolizine-3-carbaldehyde
InChI:
InChI=1S/C13H15NO/c1-13(2,3)11-8-10-6-4-5-7-14(10)12(11)9-15/h4-9H,1-3H3
InChI Key:
KEIBKRMCZZZUTD-UHFFFAOYSA-N
SMILES:
O=Cc1n2ccccc2cc1C(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:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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