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20155-55-9 | 2H-Pyran-2-one, 3,4-dihydro-3,6-dimethyl-
CAS No: 20155-55-9 Catalog No: AG002DI9 MDL No:
Product Description
Catalog Number:
AG002DI9
Chemical Name:
2H-Pyran-2-one, 3,4-dihydro-3,6-dimethyl-
CAS Number:
20155-55-9
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
3,6-dimethyl-3,4-dihydropyran-2-one
InChI:
InChI=1S/C7H10O2/c1-5-3-4-6(2)9-7(5)8/h4-5H,3H2,1-2H3
InChI Key:
WOOCSZFJXZXUTJ-UHFFFAOYSA-N
SMILES:
CC1=CCC(C(=O)O1)C
Properties
Complexity:
158
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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