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119673-47-1 | 1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(2-methylphenyl)-
CAS No: 119673-47-1 Catalog No: AG000PFJ MDL No:MFCD02212920
Product Description
Catalog Number:
AG000PFJ
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(2-methylphenyl)-
CAS Number:
119673-47-1
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
MDL Number:
MFCD02212920
IUPAC Name:
2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H15NO/c1-10-6-4-5-7-14(10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3
InChI Key:
GKCYDEMQPZTSEF-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccccc1C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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