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88039-78-5 | Pentanedioic acid, 2-acetyl-3-hexyl-2-methyl-4-methylene-, diethyl ester
CAS No: 88039-78-5 Catalog No: AG004G4E MDL No:
Product Description
Catalog Number:
AG004G4E
Chemical Name:
Pentanedioic acid, 2-acetyl-3-hexyl-2-methyl-4-methylene-, diethyl ester
CAS Number:
88039-78-5
Molecular Formula:
C19H32O5
Molecular Weight:
340.4544
IUPAC Name:
diethyl 2-acetyl-3-hexyl-2-methyl-4-methylidenepentanedioate
InChI:
InChI=1S/C19H32O5/c1-7-10-11-12-13-16(14(4)17(21)23-8-2)19(6,15(5)20)18(22)24-9-3/h16H,4,7-13H2,1-3,5-6H3
InChI Key:
RBVPBALJSRLDPR-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(C(=O)OCC)(C(=O)C)C)C(=C)C(=O)OCC
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.225g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.46g/mol
Monoisotopic Mass:
340.225g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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