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Home > Aldehydes > 957312-98-0
957312-98-0 | 1-Cyclohexyl-1H-pyrazole-4-carbaldehyde
CAS No: 957312-98-0 Catalog No: AG01DOH1 MDL No:MFCD07186315
Product Description
Catalog Number:
AG01DOH1
Chemical Name:
1-Cyclohexyl-1H-pyrazole-4-carbaldehyde
CAS Number:
957312-98-0
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD07186315
IUPAC Name:
1-cyclohexylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H14N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChI Key:
JKBDNPCWBJBVJB-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)C1CCCCC1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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