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Key Documents

P4514

Sigma-Aldrich

苯乙酸

同義詞:

α-甲苯甲酸, α-甲苯酸, 聚丙烯酰胺, 苯乙酸

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About This Item

線性公式:
C6H5CH2CO2H
CAS號碼:
分子量::
136.15
Beilstein:
1099647
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
NACRES:
NA.22

蒸汽密度

~4 (vs air)

蒸汽壓力

1 mmHg ( 97 °C)

存貨情形

not available in Japan

bp

265 °C (lit.)

mp

76-78 °C (lit.)

密度

1.081 g/mL at 25 °C (lit.)

SMILES 字串

OC(=O)Cc1ccccc1

InChI

1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

InChI 密鑰

WLJVXDMOQOGPHL-UHFFFAOYSA-N

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Anna Maria Ferrari et al.
Bioorganic & medicinal chemistry, 15(24), 7865-7877 (2007-09-18)
Among the available methods for predicting free energies of binding of ligands to a protein, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics generalized Born surface area (MM-GBSA) approaches have been validated for a relatively limited number of
M Salomé Gachet et al.
Journal of natural products, 73(4), 553-556 (2010-03-24)
In a survey of plants from Ecuador with antiprotozoal activity, Jacaranda glabra was found to show promising activity against the Plasmodium falciparum K1 strain. Subsequently, activity-guided isolation of the dichloromethane extract from the leaves of J. glabra afforded four new
Hagai Tavori et al.
Bioorganic & medicinal chemistry, 16(15), 7504-7509 (2008-06-24)
Paraoxonase1 (PON1) is a HDL bound enzyme and many of the anti-atherogenic properties of HDL are attributed to PON1. The enzyme precise mechanism of protective action and its endogenous substrate remain elusive. PON1 hydrolyzes organophosphates, arylesters and lactones, whereas the
Emeline L Maillet et al.
Journal of medicinal chemistry, 52(21), 6931-6935 (2009-10-13)
We show that phenoxyauxin herbicides and lipid-lowering fibrates inhibit human but not rodent T1R3. T1R3 as a coreceptor in taste cells responds to sweet compounds and amino acids; in endocrine cells of gut and pancreas T1R3 contributes to glucose sensing.
Giorgio Ottaviani et al.
Journal of medicinal chemistry, 50(4), 742-748 (2007-02-16)
The development of in silico and in vitro tools to estimate or predict the passive human skin permeation and distribution of new chemical entities, useful in dermal drug delivery, in absorption studies of toxic compounds, and in the cosmetics industry

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