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116910-31-7 | Butanoic acid, 4-chloro-4-oxo-, tetradecyl ester
CAS No: 116910-31-7 Catalog No: AG000DDS MDL No:
Product Description
Catalog Number:
AG000DDS
Chemical Name:
Butanoic acid, 4-chloro-4-oxo-, tetradecyl ester
CAS Number:
116910-31-7
Molecular Formula:
C18H33ClO3
Molecular Weight:
332.9058
IUPAC Name:
tetradecyl 4-chloro-4-oxobutanoate
InChI:
InChI=1S/C18H33ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20/h2-16H2,1H3
InChI Key:
RXXJWCLDEDGGIW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)CCC(=O)Cl
EC Number:
601-460-0
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.212g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.909g/mol
Monoisotopic Mass:
332.212g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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