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19722-65-7 | 2H-Pyran-2-one, 4-hydroxy-3,5-dimethyl-
CAS No: 19722-65-7 Catalog No: AG002AOL MDL No:
Product Description
Catalog Number:
AG002AOL
Chemical Name:
2H-Pyran-2-one, 4-hydroxy-3,5-dimethyl-
CAS Number:
19722-65-7
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
4-hydroxy-3,5-dimethylpyran-2-one
InChI:
InChI=1S/C7H8O3/c1-4-3-10-7(9)5(2)6(4)8/h3,8H,1-2H3
InChI Key:
BJBDBLWQEYMART-UHFFFAOYSA-N
SMILES:
Cc1coc(=O)c(c1O)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/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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