AMB19372445

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Structure Amb19372445
names
  • 1-Theobromineacetic acid
  • 2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
  • 2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid
  • 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetic acid
  • (3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid
CAS
  • 5614-56-2
Molecular weight 238.200
formula C9H10N4O4
num atoms 27
num bonds 28
num rotors 2
num rings 2
logP -1.4817
PSA 99.12
MR 58.6178
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