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Home > Aldehydes > 428469-37-8
428469-37-8 | 1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS No: 428469-37-8 Catalog No: AG019Q2R MDL No:MFCD02604885
Product Description
Catalog Number:
AG019Q2R
Chemical Name:
1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
428469-37-8
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
MDL Number:
MFCD02604885
IUPAC Name:
1-(2,3-dimethylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C15H17NO/c1-10-6-5-7-15(12(10)3)16-11(2)8-14(9-17)13(16)4/h5-9H,1-4H3
InChI Key:
MWNHAMXKXHWMFI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1cccc(c1C)C)C
Properties
Complexity:
278
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:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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