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209407-88-5 | TRICYCLO[4.4.0.03,8]DECAN-2-ONE, 8-ETHOXY-1-METHYL-
CAS No: 209407-88-5 Catalog No: AG002K80 MDL No:
Product Description
Catalog Number:
AG002K80
Chemical Name:
TRICYCLO[4.4.0.03,8]DECAN-2-ONE, 8-ETHOXY-1-METHYL-
CAS Number:
209407-88-5
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
8-ethoxy-1-methyltricyclo[4.4.0.03,8]decan-2-one
InChI:
InChI=1S/C13H20O2/c1-3-15-13-7-6-12(2)9(8-13)4-5-10(13)11(12)14/h9-10H,3-8H2,1-2H3
InChI Key:
FQFSLDNNVJWWNX-UHFFFAOYSA-N
SMILES:
CCOC12CCC3(C(C1)CCC2C3=O)C
Properties
Complexity:
312
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:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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