3-(Carboxy(3-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1)

HCID 44889

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Basic information

CAS: 63868-96-2
Standard SMILES: COc1cccc(C(=O)N(CC(O)[CH2][Hg])C(=O)O)c1.O
InChIKey: NRZUFJQMBABPCG-UHFFFAOYSA-N
Molecular formula: C12H16HgNO6
Average molar mass: 470.85 g/mol
Monoisotopic mass: 472.068406

Names & identifiers

Preferred name: 3-(Carboxy(3-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1)
IUPAC: [3-[carboxy-(3-methoxybenzoyl)amino]-2-hydroxypropyl]mercury;hydrate

Names & synonyms

63868-96-2RefChem:1067019DTXCID5014078783-(Carboxy(3-methoxybenzoyl)amino)-2-hydroxypropyl--mercury--water (1/1/1)DTXSID30980604Hydroxymercuripropanolamide of m-carboxyphenoxyacetic acidAcetic acid, (m-((2-hydroxy-3-hydroxymercuri)propyl)phenoxy)-MERCURY, (3-(alpha-CARBOXY-m-ANISAMIDO)-2-HYDROXYPROPYL)HYDROXY-

Database identifiers

CAS: 63868-96-2
PubChem CID: 44889

Properties

Computed structural properties

Topological polar surface area: 88.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 327

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