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724460-33-7 | 6-Hepten-1-yn-3-one, 5-hydroxy-4-methyl-, (4S,5R)-
CAS No: 724460-33-7 Catalog No: AG005HFY MDL No:
Product Description
Catalog Number:
AG005HFY
Chemical Name:
6-Hepten-1-yn-3-one, 5-hydroxy-4-methyl-, (4S,5R)-
CAS Number:
724460-33-7
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
(4S,5R)-5-hydroxy-4-methylhept-6-en-1-yn-3-one
InChI:
InChI=1S/C8H10O2/c1-4-7(9)6(3)8(10)5-2/h1,5-6,8,10H,2H2,3H3/t6-,8-/m1/s1
InChI Key:
FRDVCAOTCGHYAL-HTRCEHHLSA-N
SMILES:
C[C@H](C(=O)C#C)[C@@H](C=C)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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