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156129-56-5 | 3-Pentyn-2-ol, 5,5-diethoxy-, (2S)-
CAS No: 156129-56-5 Catalog No: AG001OIU MDL No:
Product Description
Catalog Number:
AG001OIU
Chemical Name:
3-Pentyn-2-ol, 5,5-diethoxy-, (2S)-
CAS Number:
156129-56-5
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
(2S)-5,5-diethoxypent-3-yn-2-ol
InChI:
InChI=1S/C9H16O3/c1-4-11-9(12-5-2)7-6-8(3)10/h8-10H,4-5H2,1-3H3/t8-/m0/s1
InChI Key:
NUYIPJRBAIRPDV-QMMMGPOBSA-N
SMILES:
CCOC(C#C[C@@H](O)C)OCC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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