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88444-05-7 | Pentanedioic acid, 3-(10,10-dimethylundecyl)-3-hydroxy-
CAS No: 88444-05-7 Catalog No: AG004HBS MDL No:
Product Description
Catalog Number:
AG004HBS
Chemical Name:
Pentanedioic acid, 3-(10,10-dimethylundecyl)-3-hydroxy-
CAS Number:
88444-05-7
Molecular Formula:
C18H34O5
Molecular Weight:
330.4596
IUPAC Name:
3-(10,10-dimethylundecyl)-3-hydroxypentanedioic acid
InChI:
InChI=1S/C18H34O5/c1-17(2,3)11-9-7-5-4-6-8-10-12-18(23,13-15(19)20)14-16(21)22/h23H,4-14H2,1-3H3,(H,19,20)(H,21,22)
InChI Key:
MFYAICLUWXVIGY-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(=O)O)(CCCCCCCCCC(C)(C)C)O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.241g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.465g/mol
Monoisotopic Mass:
330.241g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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