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113824-38-7 | Hexadecanedioic acid, 6-ethyl-
CAS No: 113824-38-7 Catalog No: AG0009SR MDL No:
Product Description
Catalog Number:
AG0009SR
Chemical Name:
Hexadecanedioic acid, 6-ethyl-
CAS Number:
113824-38-7
Molecular Formula:
C18H34O4
Molecular Weight:
314.4602
IUPAC Name:
6-ethylhexadecanedioic acid
InChI:
InChI=1S/C18H34O4/c1-2-16(13-10-11-15-18(21)22)12-8-6-4-3-5-7-9-14-17(19)20/h16H,2-15H2,1H3,(H,19,20)(H,21,22)
InChI Key:
HJVJVAPDVBIKSP-UHFFFAOYSA-N
SMILES:
CCC(CCCCC(=O)O)CCCCCCCCCC(=O)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.246g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.466g/mol
Monoisotopic Mass:
314.246g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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