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29379-41-7 | Octane, 1-propoxy-
CAS No: 29379-41-7 Catalog No: AG002Y8N MDL No:
Product Description
Catalog Number:
AG002Y8N
Chemical Name:
Octane, 1-propoxy-
CAS Number:
29379-41-7
Molecular Formula:
C11H24O
Molecular Weight:
172.3077
IUPAC Name:
1-propoxyoctane
InChI:
InChI=1S/C11H24O/c1-3-5-6-7-8-9-11-12-10-4-2/h3-11H2,1-2H3
InChI Key:
KPFDWNLAMXJSNJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCOCCC
Properties
Complexity:
71.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.183g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.312g/mol
Monoisotopic Mass:
172.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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