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2059975-54-9 | 3-cyclohexyl-1-ethyl-1H-pyrrole-2-carbaldehyde
CAS No: 2059975-54-9 Catalog No: AG01BPAG MDL No:MFCD30500020
Product Description
Catalog Number:
AG01BPAG
Chemical Name:
3-cyclohexyl-1-ethyl-1H-pyrrole-2-carbaldehyde
CAS Number:
2059975-54-9
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD30500020
IUPAC Name:
3-cyclohexyl-1-ethylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H19NO/c1-2-14-9-8-12(13(14)10-15)11-6-4-3-5-7-11/h8-11H,2-7H2,1H3
InChI Key:
SIJCPNSEPLOVHW-UHFFFAOYSA-N
SMILES:
CCn1ccc(c1C=O)C1CCCCC1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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