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2059975-61-8 | 1-ethyl-3-(4-formylphenyl)-1H-pyrrole-2-carbaldehyde
CAS No: 2059975-61-8 Catalog No: AG01BPAO MDL No:MFCD30500028
Product Description
Catalog Number:
AG01BPAO
Chemical Name:
1-ethyl-3-(4-formylphenyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
2059975-61-8
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
MDL Number:
MFCD30500028
IUPAC Name:
1-ethyl-3-(4-formylphenyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C14H13NO2/c1-2-15-8-7-13(14(15)10-17)12-5-3-11(9-16)4-6-12/h3-10H,2H2,1H3
InChI Key:
WRXBKZIJJAAMGO-UHFFFAOYSA-N
SMILES:
O=Cc1n(CC)ccc1c1ccc(cc1)C=O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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