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202072-84-2 | 2H-Pyran-2-one, 6-ethyltetrahydro-4-hydroxy-5-methyl-, (4R,5S,6R)-
CAS No: 202072-84-2 Catalog No: AG002814 MDL No:
Product Description
Catalog Number:
AG002814
Chemical Name:
2H-Pyran-2-one, 6-ethyltetrahydro-4-hydroxy-5-methyl-, (4R,5S,6R)-
CAS Number:
202072-84-2
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
(4R,5S,6R)-6-ethyl-4-hydroxy-5-methyloxan-2-one
InChI:
InChI=1S/C8H14O3/c1-3-7-5(2)6(9)4-8(10)11-7/h5-7,9H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChI Key:
NWVLFLLVHIPLNP-RRKCRQDMSA-N
SMILES:
CC[C@H]1OC(=O)C[C@H]([C@@H]1C)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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