CAS No.325491-53-0,4-Pyrimidineacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	325491-53-0
Name:	4-Pyrimidineacetic acid

Formula:	C₆H₆N₂O₂
Molecular Weight:	138.126
Synonyms:	2-(Pyrimidin-4-yl)aceticacid;4-Pyrimidinylacetic acid;
Density:	1.336 g/cm³
Boiling Point:	315.1 °C at 760 mmHg
Flash Point:	144.4 °C
PSA:	63.08000
LogP:	0.10370

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Specification

The CAS register number of 4-Pyrimidineacetic acid is 325491-53-0. It also can be called as Pyrimidin-4-ylacetic acid and the systematic name about this chemical is pyrimidin-4-ylacetic acid. The molecular formula about this chemical is C₆H₆N₂O₂ and the molecular weight is 138.12. It belongs to the Pyrimidine.

Physical properties about 4-Pyrimidineacetic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 63.08Å²; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 33.54 cm³; (11)Molar Volume: 103.3 cm³; (12)Polarizability: 13.29x10^-24cm³; (13)Surface Tension: 65.5 dyne/cm; (14)Flash Point: 144.4 °C; (15)Enthalpy of Vaporization: 58.74 kJ/mol; (16)Boiling Point: 315.1 °C at 760 mmHg; (17)Vapour Pressure: 0.000188 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc1ccncn1
(2)InChI: InChI=1/C6H6N2O2/c9-6(10)3-5-1-2-7-4-8-5/h1-2,4H,3H2,(H,9,10)
(3)InChIKey: INKXJLOOBMPRMB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H6N2O2/c9-6(10)3-5-1-2-7-4-8-5/h1-2,4H,3H2,(H,9,10)
(5)Std. InChIKey: INKXJLOOBMPRMB-UHFFFAOYSA-N