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basic information of 7-AMCA

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Product description of 7-AMCA

The CAS register number of 7-AMCA is 24701-69-7. It also can be called as 7-Amino-3-methoxymethyl-3-cephem-4-carboxylic acid and 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-(methoxymethyl)-8-oxo-, (6R,7R)-. The molecular formula about this chemical is C9H12N2O4S and the molecular weight is 244.27. It belongs to the Amines.

Physical properties about 7-AMCA are: (1)ACD/LogP: 0.53; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 118.16Å2; (6)Index of Refraction: 1.663; (7)Molar Refractivity: 58.06 cm3; (8)Molar Volume: 156.6 cm3; (9)Polarizability: 23.01x10-24cm3; (10)Surface Tension: 76.6 dyne/cm; (11)Enthalpy of Vaporization: 85.63 kJ/mol; (12)Boiling Point: 511.4 °C at 760 mmHg; (13)Vapour Pressure: 7.72E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COCC1=C(SC2C(C(=O)N2C1)N)C(=O)O
(2)InChI: InChI=1/C9H12N2O4S/c1-15-3-4-2-11-7(12)5(10)8(11)16-6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5?,8-/m0/s1
(3)InChIKey: WVPBQESNCHTWKX-DWHDZERNBF
(4)Std. InChI: InChI=1S/C9H12N2O4S/c1-15-3-4-2-11-7(12)5(10)8(11)16-6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5?,8-/m0/s1
(5)Std. InChIKey: WVPBQESNCHTWKX-DWHDZERNSA-N

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