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26399-01-9 | 3-Hexenal, 5,6-dihydroxy-2-oxo-, (5S)-
CAS No: 26399-01-9 Catalog No: AG002T15 MDL No:
Product Description
Catalog Number:
AG002T15
Chemical Name:
3-Hexenal, 5,6-dihydroxy-2-oxo-, (5S)-
CAS Number:
26399-01-9
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
(5S)-5,6-dihydroxy-2-oxohex-3-enal
InChI:
InChI=1S/C6H8O4/c7-3-5(9)1-2-6(10)4-8/h1-3,6,8,10H,4H2/t6-/m0/s1
InChI Key:
YSSNFXZGTOLNNX-LURJTMIESA-N
SMILES:
OC[C@H](C=CC(=O)C=O)O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.5
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