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100314-69-0 | Cyclohepta[c]pyran-3(1H)-one, octahydro-4,4-dimethyl-
CAS No: 100314-69-0 Catalog No: AG0001LN MDL No:
Product Description
Catalog Number:
AG0001LN
Chemical Name:
Cyclohepta[c]pyran-3(1H)-one, octahydro-4,4-dimethyl-
CAS Number:
100314-69-0
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
4,4-dimethyl-1,4a,5,6,7,8,9,9a-octahydrocyclohepta[c]pyran-3-one
InChI:
InChI=1S/C12H20O2/c1-12(2)10-7-5-3-4-6-9(10)8-14-11(12)13/h9-10H,3-8H2,1-2H3
InChI Key:
NGRAHKMUJFFDFS-UHFFFAOYSA-N
SMILES:
O=C1OCC2C(C1(C)C)CCCCC2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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