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Home > Aldehydes > 1184038-95-6
1184038-95-6 | 1-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 1184038-95-6 Catalog No: AG019ZY7 MDL No:MFCD12768931
Product Description
Catalog Number:
AG019ZY7
Chemical Name:
1-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1184038-95-6
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD12768931
IUPAC Name:
1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C9H12N2O3S/c1-9(2-3-15(13,14)7-9)11-5-8(6-12)4-10-11/h4-6H,2-3,7H2,1H3
InChI Key:
HWEXSLBZARXDLQ-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1)C1(C)CCS(=O)(=O)C1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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