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5-Pyrimidineacetic acid (5267-07-2)

Identification
Name:5-Pyrimidineacetic acid
Synonyms:5-Pyrimidineacetic acid;5-Pyrimidineaceticacid(7CI,8CI,9CI);5-PYRIMIDINEACETIC ACID,98%
CAS:5267-07-2
Molecular Formula: C6H6N2O2
Molecular Weight: 138.12
InChI: InChI=1/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10)
Molecular Structure: (C6H6N2O2) 5-Pyrimidineacetic acid;5-Pyrimidineaceticacid(7CI,8CI,9CI);5-PYRIMIDINEACETIC ACID,98%
Properties
Flash Point: 315.1 ºC at 760 mmHg
Boiling Point: 315.1 ºC at 760 mmHg
Density:1.336
Refractive index:1.562
Specification:

The 5-Pyrimidineaceticacid, with the cas registry number 5267-07-2, has the systematic name of pyrimidin-5-ylacetic acid. And its product category is including pyrimidine.

The physical properties of this chemical are as follows: (1)# of Rule of 5 Violations: 0   ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 63.08; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 33.54 cm3; (12)Molar Volume: 103.3 cm3; (13)Polarizability: 13.29 ×10-24 cm3; (14)Surface Tension: 65.5 dyne/cm; (15)Density: 1.336 g/cm3; (16)Flash Point: 144.4 °C; (17)Enthalpy of Vaporization: 58.74 kJ/mol; (18)Boiling Point: 315.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000188 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(O)Cc1cncnc1
(2)InChI:InChI=1/C6H6N2O2/c9-6(10)1-5-2-7-4-8-3-5/h2-4H,1H2,(H,9,10)
(3)InChIKey:HEEUMCHKVXTQIP-UHFFFAOYAF

Flash Point: 315.1 ºC at 760 mmHg
Safety Data