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1307387-08-1

1307387-08-1 | 1-cyclopentyl-5-phenyl-1H-pyrazole-4-carbaldehyde

CAS No: 1307387-08-1 Catalog No: AG01C3B9 MDL No:MFCD13471365

Product Description

Catalog Number:
AG01C3B9
Chemical Name:
1-cyclopentyl-5-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1307387-08-1
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3003
MDL Number:
MFCD13471365
IUPAC Name:
1-cyclopentyl-5-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C15H16N2O/c18-11-13-10-16-17(14-8-4-5-9-14)15(13)12-6-2-1-3-7-12/h1-3,6-7,10-11,14H,4-5,8-9H2
InChI Key:
CUNLMBQOMSRAGD-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1c1ccccc1)C1CCCC1

Properties

Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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