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167380-47-4 | Tetradecanedioic acid, 2,13-dimethyl-
CAS No: 167380-47-4 Catalog No: AG001XCR MDL No:
Product Description
Catalog Number:
AG001XCR
Chemical Name:
Tetradecanedioic acid, 2,13-dimethyl-
CAS Number:
167380-47-4
Molecular Formula:
C16H30O4
Molecular Weight:
286.4070
IUPAC Name:
2,13-dimethyltetradecanedioic acid
InChI:
InChI=1S/C16H30O4/c1-13(15(17)18)11-9-7-5-3-4-6-8-10-12-14(2)16(19)20/h13-14H,3-12H2,1-2H3,(H,17,18)(H,19,20)
InChI Key:
YDLYHCMMGSPGLH-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)CCCCCCCCCCC(C(=O)O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.412g/mol
Monoisotopic Mass:
286.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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