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4567-98-0 | Dimethyl undecanedioate
CAS No: 4567-98-0 Catalog No: AG0034RF MDL No:
Product Description
Catalog Number:
AG0034RF
Chemical Name:
Dimethyl undecanedioate
CAS Number:
4567-98-0
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
IUPAC Name:
dimethyl undecanedioate
InChI:
InChI=1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
InChI Key:
LADJFIHHYMBJHB-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCC(=O)OC
EC Number:
224-943-4
NSC Number:
152029
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| [GC-MS analysis of the fatty components of pollen Typhae before and after being carbonized]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060201 |
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