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163005-62-7 | 2-Hexyne-1,4-diol, 4-ethyl-
CAS No: 163005-62-7 Catalog No: AG001TLO MDL No:
Product Description
Catalog Number:
AG001TLO
Chemical Name:
2-Hexyne-1,4-diol, 4-ethyl-
CAS Number:
163005-62-7
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
4-ethylhex-2-yne-1,4-diol
InChI:
InChI=1S/C8H14O2/c1-3-8(10,4-2)6-5-7-9/h9-10H,3-4,7H2,1-2H3
InChI Key:
OXSALEISXNHGAE-UHFFFAOYSA-N
SMILES:
OCC#CC(CC)(CC)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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