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141-18-4

141-18-4 | Hexanedioic acid, 1,6-bis(2-butoxyethyl) ester

CAS No: 141-18-4 Catalog No: AG001FPS MDL No:MFCD00053796

Product Description

Catalog Number:
AG001FPS
Chemical Name:
Hexanedioic acid, 1,6-bis(2-butoxyethyl) ester
CAS Number:
141-18-4
Molecular Formula:
C18H34O6
Molecular Weight:
346.4590
MDL Number:
MFCD00053796
IUPAC Name:
bis(2-butoxyethyl) hexanedioate
InChI:
InChI=1S/C18H34O6/c1-3-5-11-21-13-15-23-17(19)9-7-8-10-18(20)24-16-14-22-12-6-4-2/h3-16H2,1-2H3
InChI Key:
IHTSDBYPAZEUOP-UHFFFAOYSA-N
SMILES:
CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC
EC Number:
205-466-0
NSC Number:
4813

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.236g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.464g/mol
Monoisotopic Mass:
346.236g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction. Biomedical chromatography : BMC 20101001

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