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84642-68-2 | (Octahydro-4,7-methano-1H-inden-5-yl)methyl isobutyrate
CAS No: 84642-68-2 Catalog No: AG004Q0Z MDL No:
Product Description
Catalog Number:
AG004Q0Z
Chemical Name:
(Octahydro-4,7-methano-1H-inden-5-yl)methyl isobutyrate
CAS Number:
84642-68-2
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
8-tricyclo[5.2.1.02,6]decanylmethyl 2-methylpropanoate
InChI:
InChI=1S/C15H24O2/c1-9(2)15(16)17-8-11-6-10-7-14(11)13-5-3-4-12(10)13/h9-14H,3-8H2,1-2H3
InChI Key:
XUTGZCOUWNUKQS-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)OCC1CC2CC1C1C2CCC1
EC Number:
283-446-0
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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