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86454-35-5 | 1-(3-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS No: 86454-35-5 Catalog No: AG004N02 MDL No:MFCD02664904
Product Description
Catalog Number:
AG004N02
Chemical Name:
1-(3-METHYLPHENYL)-1H-PYRROLE-2-CARBALDEHYDE
CAS Number:
86454-35-5
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD02664904
IUPAC Name:
1-(3-methylphenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H11NO/c1-10-4-2-5-11(8-10)13-7-3-6-12(13)9-14/h2-9H,1H3
InChI Key:
RALCOJSRRRTXKX-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1c1cccc(c1)C
Properties
Complexity:
205
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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