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81447-35-0 | 2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
CAS No: 81447-35-0 Catalog No: AG005KJY MDL No:
Product Description
Catalog Number:
AG005KJY
Chemical Name:
2,4-Pentanedione, 3-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Number:
81447-35-0
Molecular Formula:
C12H14O5S
Molecular Weight:
270.3016
IUPAC Name:
2,4-dioxopentan-3-yl 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H14O5S/c1-8-4-6-11(7-5-8)18(15,16)17-12(9(2)13)10(3)14/h4-7,12H,1-3H3
InChI Key:
ZTXDMJCULYXNHV-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.299g/mol
Monoisotopic Mass:
270.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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