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Home > Aldehydes > 957483-88-4
957483-88-4 | 1-(Tetrahydro-2H-pyran-2-yl);-1H-pyrazole-5-carbaldehyde
CAS No: 957483-88-4 Catalog No: AG003F4X MDL No:MFCD07186538
Product Description
Catalog Number:
AG003F4X
Chemical Name:
1-(Tetrahydro-2H-pyran-2-yl);-1H-pyrazole-5-carbaldehyde
CAS Number:
957483-88-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD07186538
IUPAC Name:
2-(oxan-2-yl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H12N2O2/c12-7-8-4-5-10-11(8)9-3-1-2-6-13-9/h4-5,7,9H,1-3,6H2
InChI Key:
LJKATJHBJPFKBQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1C1CCCCO1
Properties
Complexity:
187
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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