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426216-56-0 | 1H-Pyrrole-3-carboxaldehyde,1-(4-ethylphenyl)-2,5-dimethyl-(9CI)
CAS No: 426216-56-0 Catalog No: AG00CY3L MDL No:MFCD02604616
Product Description
Catalog Number:
AG00CY3L
Chemical Name:
1H-Pyrrole-3-carboxaldehyde,1-(4-ethylphenyl)-2,5-dimethyl-(9CI)
CAS Number:
426216-56-0
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
MDL Number:
MFCD02604616
IUPAC Name:
1-(4-ethylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C15H17NO/c1-4-13-5-7-15(8-6-13)16-11(2)9-14(10-17)12(16)3/h5-10H,4H2,1-3H3
InChI Key:
OHTOIZUKXXRNDL-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)n1c(C)cc(c1C)C=O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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