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122608-97-3 | Oxirane, 2-[[(2-methylhexyl)oxy]methyl]-
CAS No: 122608-97-3 Catalog No: AG0017JO MDL No:
Product Description
Catalog Number:
AG0017JO
Chemical Name:
Oxirane, 2-[[(2-methylhexyl)oxy]methyl]-
CAS Number:
122608-97-3
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
2-(2-methylhexoxymethyl)oxirane
InChI:
InChI=1S/C10H20O2/c1-3-4-5-9(2)6-11-7-10-8-12-10/h9-10H,3-8H2,1-2H3
InChI Key:
CYEPQKINJZOSAQ-UHFFFAOYSA-N
SMILES:
CCCCC(COCC1CO1)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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