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18229-78-2 | 2-Hexyne, 1,1-diethoxy-
CAS No: 18229-78-2 Catalog No: AG0023KQ MDL No:
Product Description
Catalog Number:
AG0023KQ
Chemical Name:
2-Hexyne, 1,1-diethoxy-
CAS Number:
18229-78-2
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
1,1-diethoxyhex-2-yne
InChI:
InChI=1S/C10H18O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-7H2,1-3H3
InChI Key:
VUNHOKCOJYJVBT-UHFFFAOYSA-N
SMILES:
CCOC(C#CCCC)OCC
EC Number:
242-110-3
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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