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20474-01-5 | 2H-Pyran-2-one, 3-ethyltetrahydro-6,6-dimethyl-
CAS No: 20474-01-5 Catalog No: AG0029OE MDL No:
Product Description
Catalog Number:
AG0029OE
Chemical Name:
2H-Pyran-2-one, 3-ethyltetrahydro-6,6-dimethyl-
CAS Number:
20474-01-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
3-ethyl-6,6-dimethyloxan-2-one
InChI:
InChI=1S/C9H16O2/c1-4-7-5-6-9(2,3)11-8(7)10/h7H,4-6H2,1-3H3
InChI Key:
IFDCIFLGPGKWIU-UHFFFAOYSA-N
SMILES:
CCC1CCC(OC1=O)(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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