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151169-51-6 | 1-Penten-3-one, 1,2-dihydroxy-5-(methylthio)-
CAS No: 151169-51-6 Catalog No: AG001N58 MDL No:
Product Description
Catalog Number:
AG001N58
Chemical Name:
1-Penten-3-one, 1,2-dihydroxy-5-(methylthio)-
CAS Number:
151169-51-6
Molecular Formula:
C6H10O3S
Molecular Weight:
162.2068
IUPAC Name:
1,2-dihydroxy-5-methylsulfanylpent-1-en-3-one
InChI:
InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3
InChI Key:
CILXJJLQPTUUSS-UHFFFAOYSA-N
SMILES:
CSCCC(=O)C(=CO)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.203g/mol
Monoisotopic Mass:
162.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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