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26539-01-5 | Benzenepropanoic acid, 3,5-dihydroxy-
CAS No: 26539-01-5 Catalog No: AG002TMD MDL No:MFCD12923243
Product Description
Catalog Number:
AG002TMD
Chemical Name:
Benzenepropanoic acid, 3,5-dihydroxy-
CAS Number:
26539-01-5
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD12923243
IUPAC Name:
3-(3,5-dihydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H10O4/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,10-11H,1-2H2,(H,12,13)
InChI Key:
ITPFIKQWNDGDLG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(O)cc(c1)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Reliability of fasting plasma alkylresorcinol metabolites concentrations measured 4 months apart. | European journal of clinical nutrition 20120801 |
| Present status and perspectives on the use of alkylresorcinols as biomarkers of wholegrain wheat and rye intake. | Journal of nutrition and metabolism 20120101 |
| Pharmacokinetics of alkylresorcinol metabolites in human urine. | The British journal of nutrition 20111001 |
| Comparison of gas chromatography-mass spectrometry and high-performance liquid chromatography with coulometric electrode array detection for determination of alkylresorcinol metabolites in human urine. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110315 |
| Determination of alkylresorcinol metabolites in human urine by gas chromatography-mass spectrometry. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100401 |
| Plasma alkylresorcinol metabolites as potential biomarkers of whole-grain wheat and rye cereal fibre intakes in women. | The British journal of nutrition 20100201 |
| Plasma and urinary alkylresorcinol metabolites as potential biomarkers of breast cancer risk in Finnish women: a pilot study. | Nutrition and cancer 20100101 |
| Quantification of alkylresorcinol metabolites in plasma by high-performance liquid chromatography with coulometric electrode array detection. | Journal of agricultural and food chemistry 20080910 |
| Quantification of alkylresorcinol metabolites in urine by HPLC with coulometric electrode array detection. | Clinical chemistry 20070701 |
| Identification of cereal alkylresorcinol metabolites in human urine-potential biomarkers of wholegrain wheat and rye intake. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040925 |
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