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428853-87-6 | 1-(4-BUTYLPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS No: 428853-87-6 Catalog No: AG0070U7 MDL No:MFCD02629501
Product Description
Catalog Number:
AG0070U7
Chemical Name:
1-(4-BUTYLPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
428853-87-6
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
MDL Number:
MFCD02629501
IUPAC Name:
1-(4-butylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C17H21NO/c1-4-5-6-15-7-9-17(10-8-15)18-13(2)11-16(12-19)14(18)3/h7-12H,4-6H2,1-3H3
InChI Key:
MGJFOUBVHSCMIL-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)n1c(C)cc(c1C)C=O
Properties
Complexity:
283
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:
5
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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