CAS No.51803-38-4,7-Amino-3-methoxy-3-cephem-4-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51803-38-4
Name:	7-Amino-3-methoxy-3-cephem-4-carboxylic acid
Article Data:	1

Formula:	C₈H₁₀N₂O₄S
Molecular Weight:	230.244
Synonyms:	7-Amino-3-methoxy-3-cephem-4-carboxylicacid;7-Amino-3-methoxycephalosporanic acid;7b-Amino-3-methoxy-3-cephem-4-carboxylic acid;
EINECS:	1592732-453-0
Density:	1.64 g/cm³
Boiling Point:	552.8 °C at 760 mmHg
Flash Point:	288.1 °C
PSA:	118.16000
LogP:	-0.19040

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Specification

This chemical is called 7-Amino-3-methoxy-3-cephem-4-carboxylic acid, and its systematic name is 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-methoxy-8-oxo-, (6R)-. With the molecular formula of C₈H₁₀N₂O₄S, its molecular weight is 230.24. The CAS registry number of this chemical is 51803-38-4, and its product category is Organic Acids.

Other characteristics of the 7-Amino-3-methoxy-3-cephem-4-carboxylic acid can be summarised as followings: (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: 6; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 118.16 Å²; (10)Index of Refraction: 1.686; (11)Molar Refractivity: 53.43 cm³; (12)Molar Volume: 140.3 cm³; (13)Polarizability: 21.18×10^-24cm³; (14)Surface Tension: 82.9 dyne/cm; (15)Density: 1.64 g/cm³; (16)Flash Point: 288.1 °C; (17)Enthalpy of Vaporization: 91.13 kJ/mol; (18)Boiling Point: 552.8 °C at 760 mmHg; (19)Vapour Pressure: 1.12E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COC1=C(N2[C@@H](C(C2=O)N)SC1)C(=O)O
2.InChI: InChI=1/C8H10N2O4S/c1-14-3-2-15-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4?,7-/m1/s1
3.InChIKey: DPUJHFCZDZYLRW-HWZXHQHMBX