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84963-22-4 | 2,6,10,10-TETRAMETHYLBICYCLO[7.2.0]UNDEC-5-EN-3-YL ACETATE
CAS No: 84963-22-4 Catalog No: AG004R61 MDL No:
Product Description
Catalog Number:
AG004R61
Chemical Name:
2,6,10,10-TETRAMETHYLBICYCLO[7.2.0]UNDEC-5-EN-3-YL ACETATE
CAS Number:
84963-22-4
Molecular Formula:
C17H28O2
Molecular Weight:
264.4030
IUPAC Name:
[(5Z)-2,6,10,10-tetramethyl-3-bicyclo[7.2.0]undec-5-enyl] acetate
InChI:
InChI=1S/C17H28O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,12,14-16H,6,8-10H2,1-5H3/b11-7-
InChI Key:
KHMKMDPIRWLYKU-XFFZJAGNSA-N
SMILES:
CC(=O)OC1CC=C(C)CCC2C(C1C)CC2(C)C
EC Number:
284-823-2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
264.209g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.409g/mol
Monoisotopic Mass:
264.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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