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Home > Other Heterocycles > 100819-92-9
100819-92-9 | 1-Oxaspiro[5.7]tridec-3-en-2-one, 4-methyl-
CAS No: 100819-92-9 Catalog No: AG0002YN MDL No:
Product Description
Catalog Number:
AG0002YN
Chemical Name:
1-Oxaspiro[5.7]tridec-3-en-2-one, 4-methyl-
CAS Number:
100819-92-9
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
4-methyl-1-oxaspiro[5.7]tridec-3-en-2-one
InChI:
InChI=1S/C13H20O2/c1-11-9-12(14)15-13(10-11)7-5-3-2-4-6-8-13/h9H,2-8,10H2,1H3
InChI Key:
KXGUFEFGLXZLKI-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)OC2(C1)CCCCCCC2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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