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89709-89-7 | Pentanoic acid, 5,5-diethoxy-2-methoxy-, ethyl ester
CAS No: 89709-89-7 Catalog No: AG0043W7 MDL No:
Product Description
Catalog Number:
AG0043W7
Chemical Name:
Pentanoic acid, 5,5-diethoxy-2-methoxy-, ethyl ester
CAS Number:
89709-89-7
Molecular Formula:
C12H24O5
Molecular Weight:
248.3160
IUPAC Name:
ethyl 5,5-diethoxy-2-methoxypentanoate
InChI:
InChI=1S/C12H24O5/c1-5-15-11(16-6-2)9-8-10(14-4)12(13)17-7-3/h10-11H,5-9H2,1-4H3
InChI Key:
LSLGKJYNYSVRRX-UHFFFAOYSA-N
SMILES:
CCOC(CCC(C(=O)OCC)OC)OCC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.319g/mol
Monoisotopic Mass:
248.162g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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