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30186-38-0 | 1-(p-Tolyl)-1H-pyrrole-2-carbaldehyde
CAS No: 30186-38-0 Catalog No: AG003D0J MDL No:MFCD01567103
Product Description
Catalog Number:
AG003D0J
Chemical Name:
1-(p-Tolyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
30186-38-0
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD01567103
IUPAC Name:
1-(4-methylphenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H11NO/c1-10-4-6-11(7-5-10)13-8-2-3-12(13)9-14/h2-9H,1H3
InChI Key:
LASYAEOJPVQNFO-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1ccc(cc1)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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