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2059939-51-2 | 1-ethyl-3-(3-methylphenyl)-1H-pyrrole-2-carbaldehyde
CAS No: 2059939-51-2 Catalog No: AG01BPAM MDL No:MFCD30500026
Product Description
Catalog Number:
AG01BPAM
Chemical Name:
1-ethyl-3-(3-methylphenyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2059939-51-2
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
MDL Number:
MFCD30500026
IUPAC Name:
1-ethyl-3-(3-methylphenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C14H15NO/c1-3-15-8-7-13(14(15)10-16)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3
InChI Key:
MTHXEGHKNFPSJS-UHFFFAOYSA-N
SMILES:
O=Cc1n(CC)ccc1c1cccc(c1)C
Properties
Complexity:
241
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:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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