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Home > Aldehydes > 110698-97-0
110698-97-0 | 1H-Pyrrole-3-carboxaldehyde, 2,5-diphenyl-
CAS No: 110698-97-0 Catalog No: AG0083HU MDL No:
Product Description
Catalog Number:
AG0083HU
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 2,5-diphenyl-
CAS Number:
110698-97-0
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
IUPAC Name:
2,5-diphenyl-1H-pyrrole-3-carbaldehyde
InChI:
InChI=1S/C17H13NO/c19-12-15-11-16(13-7-3-1-4-8-13)18-17(15)14-9-5-2-6-10-14/h1-12,18H
InChI Key:
IWYHVTRFSJPFOF-UHFFFAOYSA-N
SMILES:
O=Cc1cc([nH]c1c1ccccc1)c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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