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102516-16-5 | 3-Hexanone, 6-chloro-5-methoxy-
CAS No: 102516-16-5 Catalog No: AG0007MY MDL No:
Product Description
Catalog Number:
AG0007MY
Chemical Name:
3-Hexanone, 6-chloro-5-methoxy-
CAS Number:
102516-16-5
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
IUPAC Name:
6-chloro-5-methoxyhexan-3-one
InChI:
InChI=1S/C7H13ClO2/c1-3-6(9)4-7(5-8)10-2/h7H,3-5H2,1-2H3
InChI Key:
PZUASOIKUYZYIH-UHFFFAOYSA-N
SMILES:
COC(CC(=O)CC)CCl
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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