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20628-36-8 | 2H-Pyran-2-one, tetrahydro-4,6,6-trimethyl-
CAS No: 20628-36-8 Catalog No: AG002IER MDL No:
Product Description
Catalog Number:
AG002IER
Chemical Name:
2H-Pyran-2-one, tetrahydro-4,6,6-trimethyl-
CAS Number:
20628-36-8
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
4,6,6-trimethyloxan-2-one
InChI:
InChI=1S/C8H14O2/c1-6-4-7(9)10-8(2,3)5-6/h6H,4-5H2,1-3H3
InChI Key:
LEEUQHSCWHVZQP-UHFFFAOYSA-N
SMILES:
CC1CC(=O)OC(C1)(C)C
EC Number:
243-927-8
NSC Number:
134776
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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