caffeine carboxylic acid

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IUPAC Name :2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
InChI :InChI=1/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
Std.InChI: InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)
InChIKey :HCYFGRCYSCXKNQ-UHFFFAOYAG
Std.InChIKey: HCYFGRCYSCXKNQ-UHFFFAOYSA-N
SMILES :CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
MDL: MFCD00022832
Molar Refractivity :56.88 ± 0.5 cm3 (est)
Parachor :422.0 ± 8.0 cm3 (est)
Index of Refraction :1.713 ± 0.05 (est)
Surface Tension :71.7 ± 7.0 dyne/cm (est)
Density :1.64 ± 0.1 g/cm3 (est)
Polarizability :22.54 ± 0.5 10-24cm3 (est)