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Home > Other Heterocycles > 94201-05-5
94201-05-5 | 8-METHYL-1-OXASPIRO[5.5]UNDECAN-2-ONE
CAS No: 94201-05-5 Catalog No: AG006OMR MDL No:
Product Description
Catalog Number:
AG006OMR
Chemical Name:
8-METHYL-1-OXASPIRO[5.5]UNDECAN-2-ONE
CAS Number:
94201-05-5
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
10-methyl-1-oxaspiro[5.5]undecan-2-one
InChI:
InChI=1S/C11H18O2/c1-9-4-2-6-11(8-9)7-3-5-10(12)13-11/h9H,2-8H2,1H3
InChI Key:
ARHBNCKQGPMGQO-UHFFFAOYSA-N
SMILES:
CC1CCCC2(C1)CCCC(=O)O2
EC Number:
303-586-9
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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