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85391-95-3 | Propanoic acid,3-hydroxy-2,2-dimethyl-, 2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl ester
CAS No: 85391-95-3 Catalog No: AG004TMJ MDL No:
Product Description
Catalog Number:
AG004TMJ
Chemical Name:
Propanoic acid,3-hydroxy-2,2-dimethyl-, 2,2-dimethyl-3-(2-methyl-1-oxopropoxy)propyl ester
CAS Number:
85391-95-3
Molecular Formula:
C14H26O5
Molecular Weight:
274.3532
IUPAC Name:
[2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] 3-hydroxy-2,2-dimethylpropanoate
InChI:
InChI=1S/C14H26O5/c1-10(2)11(16)18-8-13(3,4)9-19-12(17)14(5,6)7-15/h10,15H,7-9H2,1-6H3
InChI Key:
YOGYDRXODPAZFW-UHFFFAOYSA-N
SMILES:
OCC(C(=O)OCC(COC(=O)C(C)C)(C)C)(C)C
EC Number:
286-852-6
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.357g/mol
Monoisotopic Mass:
274.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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