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234081-96-0 | Decanedioic acid, 1-(1,1-dimethylethyl) ester
CAS No: 234081-96-0 Catalog No: AG002N4C MDL No:MFCD28505598
Product Description
Catalog Number:
AG002N4C
Chemical Name:
Decanedioic acid, 1-(1,1-dimethylethyl) ester
CAS Number:
234081-96-0
Molecular Formula:
C14H25O4-
Molecular Weight:
257.3459
MDL Number:
MFCD28505598
IUPAC Name:
10-[(2-methylpropan-2-yl)oxy]-10-oxodecanoic acid
InChI:
InChI=1S/C14H26O4/c1-14(2,3)18-13(17)11-9-7-5-4-6-8-10-12(15)16/h4-11H2,1-3H3,(H,15,16)
InChI Key:
FRIYHISQFBWFCN-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCCCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.358g/mol
Monoisotopic Mass:
258.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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