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114658-85-4 | 2-Decenedioic acid, 2-acetyl-, 1-ethyl 10-methyl ester
CAS No: 114658-85-4 Catalog No: AG000EYY MDL No:
Product Description
Catalog Number:
AG000EYY
Chemical Name:
2-Decenedioic acid, 2-acetyl-, 1-ethyl 10-methyl ester
CAS Number:
114658-85-4
Molecular Formula:
C15H24O5
Molecular Weight:
284.3481
IUPAC Name:
1-O-ethyl 10-O-methyl 2-acetyldec-2-enedioate
InChI:
InChI=1S/C15H24O5/c1-4-20-15(18)13(12(2)16)10-8-6-5-7-9-11-14(17)19-3/h10H,4-9,11H2,1-3H3
InChI Key:
BOGVOLMYZPBVDV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CCCCCCCC(=O)OC)C(=O)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.352g/mol
Monoisotopic Mass:
284.162g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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