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129571-76-2 | 3-Octyn-2-ol, 2-acetate, (2R)-
CAS No: 129571-76-2 Catalog No: AG000Z7R MDL No:
Product Description
Catalog Number:
AG000Z7R
Chemical Name:
3-Octyn-2-ol, 2-acetate, (2R)-
CAS Number:
129571-76-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
acetic acid;oct-3-yn-2-ol
InChI:
InChI=1S/C8H14O.C2H4O2/c1-3-4-5-6-7-8(2)9;1-2(3)4/h8-9H,3-5H2,1-2H3;1H3,(H,3,4)
InChI Key:
ZYBJEVABPYAFPC-UHFFFAOYSA-N
SMILES:
CCCCC#C[C@H](OC(=O)C)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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