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Home > Aldehydes > 1342469-23-1
1342469-23-1 | 1-TETRAHYDROPYRAN-4-YLPYRAZOLE-4-CARBALDEHYDE
CAS No: 1342469-23-1 Catalog No: AG01EM45 MDL No:MFCD19612056
Product Description
Catalog Number:
AG01EM45
Chemical Name:
1-TETRAHYDROPYRAN-4-YLPYRAZOLE-4-CARBALDEHYDE
CAS Number:
1342469-23-1
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD19612056
IUPAC Name:
1-(oxan-4-yl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H12N2O2/c12-7-8-5-10-11(6-8)9-1-3-13-4-2-9/h5-7,9H,1-4H2
InChI Key:
CELVSZCQNRDKPN-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)C1CCOCC1
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
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