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3856-05-1 | ISOBUTYL GALLATE
CAS No: 3856-05-1 Catalog No: AG003R2O MDL No:MFCD00016425
Product Description
Catalog Number:
AG003R2O
Chemical Name:
ISOBUTYL GALLATE
CAS Number:
3856-05-1
MDL Number:
MFCD00016425
IUPAC Name:
2-methylpropyl 3,4,5-trihydroxybenzoate
InChI:
InChI=1S/C11H14O5/c1-6(2)5-16-11(15)7-3-8(12)10(14)9(13)4-7/h3-4,6,12-14H,5H2,1-2H3
InChI Key:
UCLHVCFKZSLALE-UHFFFAOYSA-N
EC Number:
223-363-9
UNII:
SR016RR89P
NSC Number:
147482
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.228g/mol
Monoisotopic Mass:
226.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Comparative cytotoxicity of alkyl gallates on mouse tumor cell lines and isolated rat hepatocytes. | Comparative biochemistry and physiology. Part A, Molecular & integrative physiology 20070401 |
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