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19102-90-0 | Hexadecanedioic acid, 1,16-dimethyl ester
CAS No: 19102-90-0 Catalog No: AG002F03 MDL No:MFCD00039806
Product Description
Catalog Number:
AG002F03
Chemical Name:
Hexadecanedioic acid, 1,16-dimethyl ester
CAS Number:
19102-90-0
Molecular Formula:
C18H34O4
Molecular Weight:
314.4602
MDL Number:
MFCD00039806
IUPAC Name:
dimethyl hexadecanedioate
InChI:
InChI=1S/C18H34O4/c1-21-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)22-2/h3-16H2,1-2H3
InChI Key:
MQIZSSSBYFJIJF-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCCCCCC(=O)OC
Properties
Complexity:
248
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:
0
Isotope Atom Count:
0
Molecular Weight:
314.466g/mol
Monoisotopic Mass:
314.246g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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