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224776-14-1

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Basic Information
CAS No.: 224776-14-1
Name: METHYL 3-PYRIMIDIN-5-YL-ACRYLATE
Article Data: 3
Molecular Structure:
Molecular Structure of 224776-14-1 (METHYL 3-PYRIMIDIN-5-YL-ACRYLATE)
Formula: C8H8N2O2
Molecular Weight: 164.164
Synonyms: 3-Pyrimidin-5-yl-acrylic acid methyl ester;
Density: 1.199 g/cm3
Boiling Point: 290.2 °C at 760 mmHg
Flash Point: 129.3 °C
PSA: 52.08000
LogP: 0.66280
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Specification

The 2-Propenoic acid,3-(5-pyrimidinyl)-, methyl ester, with the CAS registry number of 224776-14-1, is also known as 3-Pyrimidin-5-yl-acrylic acid methyl ester. It belongs to the product category of pyrimidine. This chemical's molecular formula is C8H8N2O2 and molecular weight is 164.16. What's more, its systematic name is Methyl (2E)-3-(pyrimidin-5-yl)prop-2-enoate.

Physical properties about the 2-Propenoic acid,3-(5-pyrimidinyl)-, methyl ester are: (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): 14.89; (5)ACD/KOC (pH 7.4): 14.89; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 52.08 Å2; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 44.73 cm3; (12)Molar Volume: 136.8 cm3; (13)Surface Tension: 49.5 dyne/cm; (14)Density: 1.199 g/cm3; (15)Flash Point: 129.3 °C; (16)Enthalpy of Vaporization: 52.96 kJ/mol; (17)Boiling Point: 290.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0021 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)/C=C/c1cncnc1
(2) InChI: InChI=1/C8H8N2O2/c1-12-8(11)3-2-7-4-9-6-10-5-7/h2-6H,1H3/b3-2+
(3) InChIKey: XGHMTMQOSKKDGC-NSCUHMNNBK