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1472-93-1

1472-93-1 | Octadecanedioic acid, 1,18-dimethyl ester

CAS No: 1472-93-1 Catalog No: AG001EP0 MDL No:MFCD00673461

Product Description

Catalog Number:
AG001EP0
Chemical Name:
Octadecanedioic acid, 1,18-dimethyl ester
CAS Number:
1472-93-1
Molecular Formula:
C20H38O4
Molecular Weight:
342.5133
MDL Number:
MFCD00673461
IUPAC Name:
dimethyl octadecanedioate
InChI:
InChI=1S/C20H38O4/c1-23-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)24-2/h3-18H2,1-2H3
InChI Key:
ZOXMHKCFDXHCJX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC
EC Number:
604-582-2

Properties

Complexity:
272  
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:
0
Isotope Atom Count:
0
Molecular Weight:
342.52g/mol
Monoisotopic Mass:
342.277g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  

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