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Home > Other Building Blocks > 116119-83-6
116119-83-6 | 5-Hexen-1-yn-3-ol, (3S)-
CAS No: 116119-83-6 Catalog No: AG000BP3 MDL No:
Product Description
Catalog Number:
AG000BP3
Chemical Name:
5-Hexen-1-yn-3-ol, (3S)-
CAS Number:
116119-83-6
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
(3S)-hex-5-en-1-yn-3-ol
InChI:
InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2-3,6-7H,1,5H2/t6-/m1/s1
InChI Key:
HRTFZVSJWXOSIX-ZCFIWIBFSA-N
SMILES:
O[C@H](C#C)CC=C
Properties
Complexity:
96
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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