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202072-83-1 | 2H-Pyran-2-one, tetrahydro-4-hydroxy-5,6-dimethyl-, (4R,5S,6R)-
CAS No: 202072-83-1 Catalog No: AG002815 MDL No:
Product Description
Catalog Number:
AG002815
Chemical Name:
2H-Pyran-2-one, tetrahydro-4-hydroxy-5,6-dimethyl-, (4R,5S,6R)-
CAS Number:
202072-83-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
(4R,5S,6R)-4-hydroxy-5,6-dimethyloxan-2-one
InChI:
InChI=1S/C7H12O3/c1-4-5(2)10-7(9)3-6(4)8/h4-6,8H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChI Key:
RZRLGLZUMGBUIB-HSUXUTPPSA-N
SMILES:
O=C1C[C@@H](O)[C@@H]([C@H](O1)C)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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