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13051-49-5 | 2-Pentanone, 5-(acetyloxy)-3-chloro-
CAS No: 13051-49-5 Catalog No: AG000UJ2 MDL No:MFCD00068821
Product Description
Catalog Number:
AG000UJ2
Chemical Name:
2-Pentanone, 5-(acetyloxy)-3-chloro-
CAS Number:
13051-49-5
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
MDL Number:
MFCD00068821
IUPAC Name:
(3-chloro-4-oxopentyl) acetate
InChI:
InChI=1S/C7H11ClO3/c1-5(9)7(8)3-4-11-6(2)10/h7H,3-4H2,1-2H3
InChI Key:
LQKQGYIKTRJVJF-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC(C(=O)C)Cl
EC Number:
235-930-8
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.612g/mol
Monoisotopic Mass:
178.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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