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23024-54-6 | Oxirane, 2-methyl-3-pentyl-, (2R,3S)-rel-
CAS No: 23024-54-6 Catalog No: AG002LX9 MDL No:
Product Description
Catalog Number:
AG002LX9
Chemical Name:
Oxirane, 2-methyl-3-pentyl-, (2R,3S)-rel-
CAS Number:
23024-54-6
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
(2S,3R)-2-methyl-3-pentyloxirane
InChI:
InChI=1S/C8H16O/c1-3-4-5-6-8-7(2)9-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChI Key:
SNAUWGUVQBOHMZ-JGVFFNPUSA-N
SMILES:
CCCCC[C@@H]1O[C@@H]1C
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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