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88083-53-8 | Oxirane, 2-(3-methoxybutyl)-2,3-dimethyl-
CAS No: 88083-53-8 Catalog No: AG004ER6 MDL No:
Product Description
Catalog Number:
AG004ER6
Chemical Name:
Oxirane, 2-(3-methoxybutyl)-2,3-dimethyl-
CAS Number:
88083-53-8
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
2-(3-methoxybutyl)-2,3-dimethyloxirane
InChI:
InChI=1S/C9H18O2/c1-7(10-4)5-6-9(3)8(2)11-9/h7-8H,5-6H2,1-4H3
InChI Key:
YHXFQYSMNCFNHJ-UHFFFAOYSA-N
SMILES:
COC(CCC1(C)OC1C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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