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81939-73-3 | (S)-4-PENTYN-2-OL
CAS No: 81939-73-3 Catalog No: AG0055VY MDL No:MFCD09031181
Product Description
Catalog Number:
AG0055VY
Chemical Name:
(S)-4-PENTYN-2-OL
CAS Number:
81939-73-3
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD09031181
IUPAC Name:
(2S)-pent-4-yn-2-ol
InChI:
InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m0/s1
InChI Key:
JTHLRRZARWSHBE-YFKPBYRVSA-N
SMILES:
C[C@@H](CC#C)O
UNII:
Q1E6R2D4EZ
Properties
Complexity:
67.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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