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19022-60-7 | 2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (4S)-
CAS No: 19022-60-7 Catalog No: AG002EEV MDL No:
Product Description
Catalog Number:
AG002EEV
Chemical Name:
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (4S)-
CAS Number:
19022-60-7
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
(4S)-4-hydroxy-4-methyloxan-2-one
InChI:
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1
InChI Key:
JYVXNLLUYHCIIH-LURJTMIESA-N
SMILES:
O=C1OCC[C@](C1)(C)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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