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177769-98-1 | Pyranone, dihydrodimethyl-
CAS No: 177769-98-1 Catalog No: AG0025JO MDL No:
Product Description
Catalog Number:
AG0025JO
Chemical Name:
Pyranone, dihydrodimethyl-
CAS Number:
177769-98-1
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
3,3-dimethyl-4H-pyran-2-one
InChI:
InChI=1S/C7H10O2/c1-7(2)4-3-5-9-6(7)8/h3,5H,4H2,1-2H3
InChI Key:
LFYRAGWJCYTPJP-UHFFFAOYSA-N
SMILES:
O=C1CCC(=C(O1)C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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