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88550-06-5 | Pyrano[2,3-c]pyrazol-6(2H)-one, 3,4-dimethyl-2-pentyl-
CAS No: 88550-06-5 Catalog No: AG004FQ2 MDL No:
Product Description
Catalog Number:
AG004FQ2
Chemical Name:
Pyrano[2,3-c]pyrazol-6(2H)-one, 3,4-dimethyl-2-pentyl-
CAS Number:
88550-06-5
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
3,4-dimethyl-2-pentylpyrano[2,3-c]pyrazol-6-one
InChI:
InChI=1S/C13H18N2O2/c1-4-5-6-7-15-10(3)12-9(2)8-11(16)17-13(12)14-15/h8H,4-7H2,1-3H3
InChI Key:
PYLYHYRCFUARSO-UHFFFAOYSA-N
SMILES:
CCCCCn1nc2c(c1C)c(C)cc(=O)o2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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