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1220-05-9 | Glycine, N-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS No: 1220-05-9 Catalog No: AG0016JK MDL No:
Product Description
Catalog Number:
AG0016JK
Chemical Name:
Glycine, N-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-
CAS Number:
1220-05-9
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
IUPAC Name:
2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]acetic acid
InChI:
InChI=1S/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)
InChI Key:
CLGNQAIRBLDHIN-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)NCC(=O)O)ccc1O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Antiglycative and neuroprotective activity of colon-derived polyphenol catabolites. | Molecular nutrition & food research 20110501 |
| Bioavailability of chlorogenic acids following acute ingestion of coffee by humans with an ileostomy. | Archives of biochemistry and biophysics 20100901 |
| Bioavailability of coffee chlorogenic acids and green tea flavan-3-ols. | Nutrients 20100801 |
| Metabolite profiling of hydroxycinnamate derivatives in plasma and urine after the ingestion of coffee by humans: identification of biomarkers of coffee consumption. | Drug metabolism and disposition: the biological fate of chemicals 20090801 |
| Absorption of hydroxycinnamates in humans after high-bran cereal consumption. | Journal of agricultural and food chemistry 20030924 |
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