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100825-40-9 | 2H-Pyran-2-one, 6-ethyl-5,6-dihydro-4-hydroxy-5-methyl-, cis- (9CI)
CAS No: 100825-40-9 Catalog No: AG0002YA MDL No:
Product Description
Catalog Number:
AG0002YA
Chemical Name:
2H-Pyran-2-one, 6-ethyl-5,6-dihydro-4-hydroxy-5-methyl-, cis- (9CI)
CAS Number:
100825-40-9
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
2-ethyl-4-hydroxy-3-methyl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C8H12O3/c1-3-7-5(2)6(9)4-8(10)11-7/h4-5,7,9H,3H2,1-2H3
InChI Key:
IPEONSXNDWWNML-UHFFFAOYSA-N
SMILES:
CC[C@H]1OC(=O)C=C([C@H]1C)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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