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300665-10-5 | 5-Benzofurancarboxaldehyde,2-(4-pentylbenzoyl)-
CAS No: 300665-10-5 Catalog No: AG007JLE MDL No:
Product Description
Catalog Number:
AG007JLE
Chemical Name:
5-Benzofurancarboxaldehyde,2-(4-pentylbenzoyl)-
CAS Number:
300665-10-5
Molecular Formula:
C21H20O3
Molecular Weight:
320.3817
IUPAC Name:
2-(4-pentylbenzoyl)-1-benzofuran-5-carbaldehyde
InChI:
InChI=1S/C21H20O3/c1-2-3-4-5-15-6-9-17(10-7-15)21(23)20-13-18-12-16(14-22)8-11-19(18)24-20/h6-14H,2-5H2,1H3
InChI Key:
GJTUOBWRJOLPGS-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1cc2c(o1)ccc(c2)C=O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.388g/mol
Monoisotopic Mass:
320.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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