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Home > Aldehydes > 105508-07-4
105508-07-4 | 1H-Pyrrole-2-carboxaldehyde, 3,4-diphenyl-
CAS No: 105508-07-4 Catalog No: AG0084RB MDL No:
Product Description
Catalog Number:
AG0084RB
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 3,4-diphenyl-
CAS Number:
105508-07-4
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
IUPAC Name:
3,4-diphenyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C17H13NO/c19-12-16-17(14-9-5-2-6-10-14)15(11-18-16)13-7-3-1-4-8-13/h1-12,18H
InChI Key:
SAMGUNHWEUKIIV-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]cc(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:
3.8
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