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89393-18-0 | 2-Pentyne, 1-(1-butoxyethoxy)-
CAS No: 89393-18-0 Catalog No: AG003WJY MDL No:
Product Description
Catalog Number:
AG003WJY
Chemical Name:
2-Pentyne, 1-(1-butoxyethoxy)-
CAS Number:
89393-18-0
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
1-(1-butoxyethoxy)pent-2-yne
InChI:
InChI=1S/C11H20O2/c1-4-6-8-10-13-11(3)12-9-7-5-2/h11H,4-5,7,9-10H2,1-3H3
InChI Key:
HXVKIQDRGJMWFC-UHFFFAOYSA-N
SMILES:
CCCCOC(OCC#CCC)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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