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Home > Other Heterocycles > 89237-57-0
89237-57-0 | Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl-
CAS No: 89237-57-0 Catalog No: AG0042TG MDL No:
Product Description
Catalog Number:
AG0042TG
Chemical Name:
Spiro[4.4]non-3-en-2-one, 3-ethyl-4-methyl-
CAS Number:
89237-57-0
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
3-ethyl-4-methylspiro[4.4]non-3-en-2-one
InChI:
InChI=1S/C12H18O/c1-3-10-9(2)12(8-11(10)13)6-4-5-7-12/h3-8H2,1-2H3
InChI Key:
OBCUBELPBWKFTC-UHFFFAOYSA-N
SMILES:
CCC1=C(C)C2(CC1=O)CCCC2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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