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70556-66-0 | Spiro[5.5]undeca-7,10-diene-2,9-dione, 1,5,5-trimethyl-
CAS No: 70556-66-0 Catalog No: AG00677F MDL No:
Product Description
Catalog Number:
AG00677F
Chemical Name:
Spiro[5.5]undeca-7,10-diene-2,9-dione, 1,5,5-trimethyl-
CAS Number:
70556-66-0
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
1,5,5-trimethylspiro[5.5]undeca-7,10-diene-2,9-dione
InChI:
InChI=1S/C14H18O2/c1-10-12(16)6-7-13(2,3)14(10)8-4-11(15)5-9-14/h4-5,8-10H,6-7H2,1-3H3
InChI Key:
WCCSNLKVWDWHPN-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(C=C1)C(C)C(=O)CCC2(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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