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89622-82-2 | Pentanedioic acid, 3-hydroxy-3-methyl-, bis(1,1-dimethylethyl) ester
CAS No: 89622-82-2 Catalog No: AG003X8T MDL No:
Product Description
Catalog Number:
AG003X8T
Chemical Name:
Pentanedioic acid, 3-hydroxy-3-methyl-, bis(1,1-dimethylethyl) ester
CAS Number:
89622-82-2
Molecular Formula:
C14H26O5
Molecular Weight:
274.3532
IUPAC Name:
ditert-butyl 3-hydroxy-3-methylpentanedioate
InChI:
InChI=1S/C14H26O5/c1-12(2,3)18-10(15)8-14(7,17)9-11(16)19-13(4,5)6/h17H,8-9H2,1-7H3
InChI Key:
FRKFWGBYXMXJOZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CC(CC(=O)OC(C)(C)C)(O)C
Properties
Complexity:
303
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:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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