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Home > Aldehydes > 1856642-58-4
1856642-58-4 | 5-(3-hydroxyazetidin-1-yl)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 1856642-58-4 Catalog No: AG01C8TR MDL No:MFCD31443266
Product Description
Catalog Number:
AG01C8TR
Chemical Name:
5-(3-hydroxyazetidin-1-yl)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1856642-58-4
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
MDL Number:
MFCD31443266
IUPAC Name:
5-(3-hydroxyazetidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H13N3O2/c1-6-8(5-13)9(11(2)10-6)12-3-7(14)4-12/h5,7,14H,3-4H2,1-2H3
InChI Key:
FIVDJPHVBHFXOB-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CC(C1)O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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