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3-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-(methylamino)propanoic acid hydrate

3-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-(methylamino)propanoic acid hydrate

Systemtic Name:3-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-(methylamino)propanoic acid hydrate
Openeye Name:3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid hydrate
CAS Name:3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid hydrate
IUPAC Name:3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid hydrate
Traditional Name:3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propionic acid hydrate
Formula: C11H17NO5
MolecularWeight: 243.25638
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NC.O


Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NC.O


InChI

InChI=1S/C11H15NO4.H2O/c1-11(12-2,10(15)16)6-7-3-4-8(13)9(14)5-7;/h3-5,12-14H,6H2,1-2H3,(H,15,16);1H2


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