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26509-45-5 | METHYLEUGENOLGLYCOL
CAS No: 26509-45-5 Catalog No: AG00BHZU MDL No:
Product Description
Catalog Number:
AG00BHZU
Chemical Name:
METHYLEUGENOLGLYCOL
CAS Number:
26509-45-5
IUPAC Name:
3-(3,4-dimethoxyphenyl)propane-1,2-diol
InChI:
InChI=1S/C11H16O4/c1-14-10-4-3-8(5-9(13)7-12)6-11(10)15-2/h3-4,6,9,12-13H,5,7H2,1-2H3
InChI Key:
NZKYZDCTLPYISK-UHFFFAOYSA-N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Self-organizing maps for identification of new inhibitors of P-glycoprotein. | Journal of medicinal chemistry 20070405 |
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