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Home > Aldehydes > 1852911-61-5
1852911-61-5 | 5-(3,3-dimethylazetidin-1-yl)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS No: 1852911-61-5 Catalog No: AG01C8O1 MDL No:MFCD31443181
Product Description
Catalog Number:
AG01C8O1
Chemical Name:
5-(3,3-dimethylazetidin-1-yl)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1852911-61-5
Molecular Formula:
C11H17N3O
Molecular Weight:
207.2722
MDL Number:
MFCD31443181
IUPAC Name:
5-(3,3-dimethylazetidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H17N3O/c1-8-9(5-15)10(13(4)12-8)14-6-11(2,3)7-14/h5H,6-7H2,1-4H3
InChI Key:
LGUKOFHXTJSOBT-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1N1CC(C1)(C)C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.277g/mol
Monoisotopic Mass:
207.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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