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Home > Aldehydes > 1779480-21-5
1779480-21-5 | 5-CYCLOBUTYL-1H-PYRAZOLE-3-CARBALDEHYDE
CAS No: 1779480-21-5 Catalog No: AG01EMA4 MDL No:MFCD29064652
Product Description
Catalog Number:
AG01EMA4
Chemical Name:
5-CYCLOBUTYL-1H-PYRAZOLE-3-CARBALDEHYDE
CAS Number:
1779480-21-5
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
MDL Number:
MFCD29064652
IUPAC Name:
5-cyclobutyl-1H-pyrazole-3-carbaldehyde
InChI:
InChI=1S/C8H10N2O/c11-5-7-4-8(10-9-7)6-2-1-3-6/h4-6H,1-3H2,(H,9,10)
InChI Key:
VVVPRWFWIQNECK-UHFFFAOYSA-N
SMILES:
O=Cc1cc([nH]n1)C1CCC1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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