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113485-85-1 | 2-Hexyne, 1,1,1-triethoxy-5-methyl-
CAS No: 113485-85-1 Catalog No: AG0008PZ MDL No:
Product Description
Catalog Number:
AG0008PZ
Chemical Name:
2-Hexyne, 1,1,1-triethoxy-5-methyl-
CAS Number:
113485-85-1
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
1,1,1-triethoxy-5-methylhex-2-yne
InChI:
InChI=1S/C13H24O3/c1-6-14-13(15-7-2,16-8-3)11-9-10-12(4)5/h12H,6-8,10H2,1-5H3
InChI Key:
ZJKWWTNGDIYITO-UHFFFAOYSA-N
SMILES:
CCOC(C#CCC(C)C)(OCC)OCC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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