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156-06-9 | Benzenepropanoic acid, α-oxo-
CAS No: 156-06-9 Catalog No: AG001OFB MDL No:MFCD00002589
Product Description
Catalog Number:
AG001OFB
Chemical Name:
Benzenepropanoic acid, α-oxo-
CAS Number:
156-06-9
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00002589
IUPAC Name:
2-oxo-3-phenylpropanoic acid
InChI:
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChI Key:
BTNMPGBKDVTSJY-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)Cc1ccccc1
EC Number:
205-847-1
UNII:
X7CO62M413
FEMA Number:
3892
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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| Gas chromatographic-mass spectrometric screening for organic acidemias using dried urine filter paper: determination of alpha-ketoacids. | Journal of chromatography. B, Biomedical sciences and applications 20010705 |
| Regioselective dimerization of ferulic acid in a micellar solution. | Journal of agricultural and food chemistry 20010701 |
| Novel biomarkers of the metabolism of caffeic acid derivatives in vivo. | Free radical biology & medicine 20010601 |
| Isolation and characterization of human colonic bacteria able to hydrolyse chlorogenic acid. | Journal of applied microbiology 20010601 |
| Tyrosine and phenylalanine catabolism by Lactobacillus cheese flavor adjuncts. | Journal of dairy science 20010501 |
| Shifting the biotransformation pathways of L-phenylalanine into benzaldehyde by Trametes suaveolens CBS 334.85 using HP20 resin. | Letters in applied microbiology 20010401 |
| LC/ES-MS detection of hydroxycinnamates in human plasma and urine. | Journal of agricultural and food chemistry 20010401 |
| Impaired arachidonic (20:4n-6) and docosahexaenoic (22:6n-3) acid synthesis by phenylalanine metabolites as etiological factors in the neuropathology of phenylketonuria. | Molecular genetics and metabolism 20010301 |
| Enzymes involved in hydroxycinnamate metabolism. | Methods in enzymology 20010101 |
| The emerging periplasm-localized subclass of AroQ chorismate mutases, exemplified by those from Salmonella typhimurium and Pseudomonas aeruginosa. | Genome biology 20010101 |
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