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101537-26-2 | Octane, 1-(ethynyloxy)-
CAS No: 101537-26-2 Catalog No: AG0004Q4 MDL No:
Product Description
Catalog Number:
AG0004Q4
Chemical Name:
Octane, 1-(ethynyloxy)-
CAS Number:
101537-26-2
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
1-ethynoxyoctane
InChI:
InChI=1S/C10H18O/c1-3-5-6-7-8-9-10-11-4-2/h2H,3,5-10H2,1H3
InChI Key:
NPFAVECNEWXGTP-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC#C
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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