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82142-55-0 | 4H-Pyran-4-one, 2-ethyl-2,3-dihydro-3-hydroxy-
CAS No: 82142-55-0 Catalog No: AG004W67 MDL No:
Product Description
Catalog Number:
AG004W67
Chemical Name:
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-3-hydroxy-
CAS Number:
82142-55-0
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
2-ethyl-3-hydroxy-2,3-dihydropyran-4-one
InChI:
InChI=1S/C7H10O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,6-7,9H,2H2,1H3
InChI Key:
XOUBRPDMUDVIDE-UHFFFAOYSA-N
SMILES:
CCC1OC=CC(=O)C1O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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