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127075-18-7 | Octanedioic acid, 2,7-dihexyl-
CAS No: 127075-18-7 Catalog No: AG000WNI MDL No:
Product Description
Catalog Number:
AG000WNI
Chemical Name:
Octanedioic acid, 2,7-dihexyl-
CAS Number:
127075-18-7
Molecular Formula:
C20H38O4
Molecular Weight:
342.5133
IUPAC Name:
2,7-dihexyloctanedioic acid
InChI:
InChI=1S/C20H38O4/c1-3-5-7-9-13-17(19(21)22)15-11-12-16-18(20(23)24)14-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,21,22)(H,23,24)
InChI Key:
RHMDMABOIPNQSG-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)O)CCCCC(C(=O)O)CCCCCC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.277g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.52g/mol
Monoisotopic Mass:
342.277g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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