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19135-05-8 | 5-Hexyn-3-ol, 3-ethyl-
CAS No: 19135-05-8 Catalog No: AG002F6F MDL No:
Product Description
Catalog Number:
AG002F6F
Chemical Name:
5-Hexyn-3-ol, 3-ethyl-
CAS Number:
19135-05-8
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
3-ethylhex-5-yn-3-ol
InChI:
InChI=1S/C8H14O/c1-4-7-8(9,5-2)6-3/h1,9H,5-7H2,2-3H3
InChI Key:
QDASCWVJDDKPPB-UHFFFAOYSA-N
SMILES:
CCC(CC#C)(CC)O
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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