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88550-13-4 | Pyrano[2,3-c]pyrazol-6(2H)-one, 2-(chloroacetyl)-3,4-dimethyl-
CAS No: 88550-13-4 Catalog No: AG004CQ5 MDL No:
Product Description
Catalog Number:
AG004CQ5
Chemical Name:
Pyrano[2,3-c]pyrazol-6(2H)-one, 2-(chloroacetyl)-3,4-dimethyl-
CAS Number:
88550-13-4
Molecular Formula:
C10H9ClN2O3
Molecular Weight:
240.6431
IUPAC Name:
2-(2-chloroacetyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C10H9ClN2O3/c1-5-3-8(15)16-10-9(5)6(2)13(12-10)7(14)4-11/h3H,4H2,1-2H3
InChI Key:
XKYPMWHMEDAUJM-UHFFFAOYSA-N
SMILES:
ClCC(=O)n1nc2c(c1C)c(C)cc(=O)o2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.643g/mol
Monoisotopic Mass:
240.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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