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13045-16-4 | 2-Pentanone, 5-(acetyloxy)-1-chloro-
CAS No: 13045-16-4 Catalog No: AG000UGR MDL No:
Product Description
Catalog Number:
AG000UGR
Chemical Name:
2-Pentanone, 5-(acetyloxy)-1-chloro-
CAS Number:
13045-16-4
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
(5-chloro-4-oxopentyl) acetate
InChI:
InChI=1S/C7H11ClO3/c1-6(9)11-4-2-3-7(10)5-8/h2-5H2,1H3
InChI Key:
OXUUNWBJPXKJLY-UHFFFAOYSA-N
SMILES:
ClCC(=O)CCCOC(=O)C
Properties
Complexity:
145
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:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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