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1779825-53-4 | 1-(oxan-4-yl)-1H-pyrazole-5-carbaldehyde
CAS No: 1779825-53-4 Catalog No: AG01C2P4 MDL No:MFCD30344807
Product Description
Catalog Number:
AG01C2P4
Chemical Name:
1-(oxan-4-yl)-1H-pyrazole-5-carbaldehyde
CAS Number:
1779825-53-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD30344807
IUPAC Name:
2-(oxan-4-yl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H12N2O2/c12-7-9-1-4-10-11(9)8-2-5-13-6-3-8/h1,4,7-8H,2-3,5-6H2
InChI Key:
WXSYTSCDKVCKGW-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1C1CCOCC1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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