2-azanyl-3-oxidanyl-propanoic acid; isochromen-1-one

Systemtic Name: 2-azanyl-3-oxidanyl-propanoic acid; isochromen-1-one Openeye Name: 2-amino-3-hydroxy-propanoic acid; isochromen-1-one CAS Name: 2-amino-3-hydroxypropanoic acid; 2-benzopyran-1-one IUPAC Name: 2-amino-3-hydroxypropanoic acid; isochromen-1-one Traditional Name: 2-amino-3-hydroxy-propionic acid; isocoumarin Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=COC2=O.C(C(C(=O)O)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C=COC2=O.C(C(C(=O)O)N)O

InChI

InChI=1S/C9H6O2.C3H7NO3/c10-9-8-4-2-1-3-7(8)5-6-11-9;4-2(1-5)3(6)7/h1-6H;2,5H,1,4H2,(H,6,7)