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102110-10-1 | Butanoic acid, (octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene) ester (9CI)
CAS No: 102110-10-1 Catalog No: AG0006MV MDL No:
Product Description
Catalog Number:
AG0006MV
Chemical Name:
Butanoic acid, (octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene) ester (9CI)
CAS Number:
102110-10-1
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
[3-(butanoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl butanoate
InChI:
InChI=1S/C20H32O4/c1-3-5-17(21)23-12-20(13-24-18(22)6-4-2)10-9-16-14-7-8-15(11-14)19(16)20/h14-16,19H,3-13H2,1-2H3
InChI Key:
HPHBKSDLFUQCJC-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCC1(CCC2C1C1CCC2C1)COC(=O)CCC
EC Number:
310-007-3
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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