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1862822-24-9

1862822-24-9 | 5-(azetidin-1-yl)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

CAS No: 1862822-24-9 Catalog No: AG01C8NQ MDL No:MFCD31443178

Product Description

Catalog Number:
AG01C8NQ
Chemical Name:
5-(azetidin-1-yl)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1862822-24-9
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
MDL Number:
MFCD31443178
IUPAC Name:
5-(azetidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H13N3O/c1-7-8(6-13)9(11(2)10-7)12-4-3-5-12/h6H,3-5H2,1-2H3
InChI Key:
DURPLOZCUFLDFU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CCC1)C

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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