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35711-41-2 | 1H-Pyrrole-3-carboxaldehyde,1-cyclohexyl-2,5-dimethyl-
CAS No: 35711-41-2 Catalog No: AG0079UK MDL No:MFCD02629365
Product Description
Catalog Number:
AG0079UK
Chemical Name:
1H-Pyrrole-3-carboxaldehyde,1-cyclohexyl-2,5-dimethyl-
CAS Number:
35711-41-2
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD02629365
IUPAC Name:
1-cyclohexyl-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H19NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3
InChI Key:
HRRUKGPVBSKOJH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)C1CCCCC1)C
Properties
Complexity:
223
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:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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