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29195-12-8 | Oxirane, 2-methyl-2-octyl-
CAS No: 29195-12-8 Catalog No: AG002XMG MDL No:
Product Description
Catalog Number:
AG002XMG
Chemical Name:
Oxirane, 2-methyl-2-octyl-
CAS Number:
29195-12-8
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
2-methyl-2-octyloxirane
InChI:
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12-11/h3-10H2,1-2H3
InChI Key:
IJIIJXCCQIJKQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1(C)CO1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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