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About This Item
Linear Formula:
C6H5CH2COCOOH
CAS Number:
Molecular Weight:
164.16
FEMA Number:
3892
Flavis number:
8.109
UNSPSC Code:
12164502
EC Number:
205-847-1
Beilstein/REAXYS Number:
2207312
MDL number:
biological source
synthetic
assay
98%
mp
150-154 °C (lit.), 158-160 °C
SMILES string
OC(=O)C(=O)Cc1ccccc1
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
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Gerrit J Poelarends et al.
Biochemistry, 46(33), 9596-9604 (2007-07-31)
The enzymatic conversion of cis- or trans-3-chloroacrylic acid to malonate semialdehyde is a key step in the bacterial degradation of the nematocide 1,3-dichloropropene. Two mechanisms have been proposed for the isomer-specific hydrolytic dehalogenases, cis- and trans-3-chloroacrylic acid dehalogenase (cis-CaaD and
Joo Won Park et al.
Experimental & molecular medicine, 42(2), 105-115 (2009-12-01)
Phenylketonuria is an autosomal recessive disorder caused by a deficiency of phenylalanine hydroxylase. Transthyretin has been implicated as an indicator of nutritional status in phenylketonuria patients. In this study, we report that phenylalanine and its metabolite, phenylpyruvic acid, affect MAPK
Faqing Tang et al.
Clinical biochemistry, 44(8-9), 711-718 (2011-03-16)
To search for markers of nasopharyngeal carcinoma (NPC) for diagnosis. Using gas chromatography and mass spectrometry, we evaluated 51 serum metabolites in 49 NPC, 37 throat cancer patients and 40 healthy controls. High metabolites were selected and confirmed in NPC
Tapan Kanti Paine et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 13(21), 6073-6081 (2007-05-01)
Iron(II)-phenylpyruvate complexes of tetradentate tris(6-methyl-2-pyridylmethyl)amine (6-Me3-TPA) and tridentate benzyl bis(2-quinolinylmethyl)amine (Bn-BQA) were prepared to gain insight into C-C bond cleavage catalyzed by dioxygenase enzymes. The complexes we have prepared and characterized are [Fe(6-Me3-tpa)(prv)][BPh4] (1), [Fe2(6-Me3-tpa)2(pp)][(BPh4)2] (2), and [Fe2(6-Me3-tpa)2(2'-NO2-pp)][(BPh4)2] (3), [Fe(6-Me3-tpa)(pp-Me)][BPh4]
Andrea Pereira Rosa et al.
Cellular and molecular neurobiology, 32(7), 1113-1118 (2012-04-06)
Phenylketonuria is a recessive autosomal disorder that is caused by a deficiency in the activity of phenylalanine-4-hydroxylase, which converts phenylalanine to tyrosine, leading to the accumulation of phenylalanine and its metabolites phenyllactic acid, phenylacetic acid, and phenylpyruvic acid in the
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