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Home > Other Heterocycles > 834900-61-7
834900-61-7 | Spiro[5.5]undecan-1-one, 2-acetyl-3-methyl-
CAS No: 834900-61-7 Catalog No: AG0059CP MDL No:
Product Description
Catalog Number:
AG0059CP
Chemical Name:
Spiro[5.5]undecan-1-one, 2-acetyl-3-methyl-
CAS Number:
834900-61-7
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
4-acetyl-3-methylspiro[5.5]undecan-5-one
InChI:
InChI=1S/C14H22O2/c1-10-6-9-14(7-4-3-5-8-14)13(16)12(10)11(2)15/h10,12H,3-9H2,1-2H3
InChI Key:
PTVRGOUYNOYFSF-UHFFFAOYSA-N
SMILES:
CC1CCC2(C(=O)C1C(=O)C)CCCCC2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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