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155173-25-4 | 3-Hexanone, 6-(2-oxiranylmethoxy)-
CAS No: 155173-25-4 Catalog No: AG001NOZ MDL No:
Product Description
Catalog Number:
AG001NOZ
Chemical Name:
3-Hexanone, 6-(2-oxiranylmethoxy)-
CAS Number:
155173-25-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
6-(oxiran-2-ylmethoxy)hexan-3-one
InChI:
InChI=1S/C9H16O3/c1-2-8(10)4-3-5-11-6-9-7-12-9/h9H,2-7H2,1H3
InChI Key:
SQJDRUSZBIIXRG-UHFFFAOYSA-N
SMILES:
CCC(=O)CCCOCC1CO1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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