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428488-10-2 | 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS No: 428488-10-2 Catalog No: AG019Q3I MDL No:MFCD02604608
Product Description
Catalog Number:
AG019Q3I
Chemical Name:
1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
428488-10-2
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
MDL Number:
MFCD02604608
IUPAC Name:
1-(4-tert-butylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C17H21NO/c1-12-10-14(11-19)13(2)18(12)16-8-6-15(7-9-16)17(3,4)5/h6-11H,1-5H3
InChI Key:
DCDFURNTBWPOAE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccc(cc1)C(C)(C)C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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