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Home > Aldehydes > 2059974-42-2
2059974-42-2 | 1-ethyl-3-(3-methoxyphenyl)-1H-pyrrole-2-carbaldehyde
CAS No: 2059974-42-2 Catalog No: AG01BPAQ MDL No:MFCD30500030
Product Description
Catalog Number:
AG01BPAQ
Chemical Name:
1-ethyl-3-(3-methoxyphenyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2059974-42-2
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD30500030
IUPAC Name:
1-ethyl-3-(3-methoxyphenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C14H15NO2/c1-3-15-8-7-13(14(15)10-16)11-5-4-6-12(9-11)17-2/h4-10H,3H2,1-2H3
InChI Key:
KNRNWBVOLNVIJU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccn(c1C=O)CC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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