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113889-24-0 | Pentanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester (9CI)
CAS No: 113889-24-0 Catalog No: AG000A0J MDL No:
Product Description
Catalog Number:
AG000A0J
Chemical Name:
Pentanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester (9CI)
CAS Number:
113889-24-0
Molecular Formula:
C15H22O2
Molecular Weight:
234.3340
IUPAC Name:
3-tricyclo[5.2.1.02,6]dec-4-enyl pentanoate
InChI:
InChI=1S/C15H22O2/c1-2-3-4-14(16)17-13-8-7-12-10-5-6-11(9-10)15(12)13/h7-8,10-13,15H,2-6,9H2,1H3
InChI Key:
DMMLKQIABZLFBD-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC1C=CC2C1C1CCC2C1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.339g/mol
Monoisotopic Mass:
234.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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