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124601-02-1 | 5-Hexyn-3-ol, 2,2-dimethyl-, (3R)-
CAS No: 124601-02-1 Catalog No: AG000MGW MDL No:
Product Description
Catalog Number:
AG000MGW
Chemical Name:
5-Hexyn-3-ol, 2,2-dimethyl-, (3R)-
CAS Number:
124601-02-1
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
(3R)-2,2-dimethylhex-5-yn-3-ol
InChI:
InChI=1S/C8H14O/c1-5-6-7(9)8(2,3)4/h1,7,9H,6H2,2-4H3/t7-/m1/s1
InChI Key:
LXTKFMYMEUWRJA-SSDOTTSWSA-N
SMILES:
O[C@@H](C(C)(C)C)CC#C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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