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144758-26-9 | Benzeneacetyl chloride, α-carbonyl-2,4,6-trimethyl-
CAS No: 144758-26-9 Catalog No: AG001K4E MDL No:
Product Description
Catalog Number:
AG001K4E
Chemical Name:
Benzeneacetyl chloride, α-carbonyl-2,4,6-trimethyl-
CAS Number:
144758-26-9
Molecular Formula:
C12H11ClO2
Molecular Weight:
222.6675
IUPAC Name:
3-oxo-2-(2,4,6-trimethylphenyl)prop-2-enoyl chloride
InChI:
InChI=1S/C12H11ClO2/c1-7-4-8(2)11(9(3)5-7)10(6-14)12(13)15/h4-5H,1-3H3
InChI Key:
SERXVFRECJWTHE-UHFFFAOYSA-N
SMILES:
O=C=C(c1c(C)cc(cc1C)C)C(=O)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.668g/mol
Monoisotopic Mass:
222.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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