Carbonic acid, methyl ester, ester with 4'-hydroxyacetanilide

HCID 28478

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Basic information

CAS: 17321-62-9
Standard SMILES: COC(=O)Oc1ccc(NC(C)=O)cc1
InChIKey: NPTMYBDPDBTCPB-UHFFFAOYSA-N
Molecular formula: C10H11NO4
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.06880783

Names & identifiers

Preferred name: Carbonic acid, methyl ester, ester with 4'-hydroxyacetanilide
IUPAC: (4-acetamidophenyl) methyl carbonate

Names & synonyms

4-Acetamidophenyl methyl carbonateBRN 211643517321-62-9CARBONIC ACID, METHYL ESTER, ESTER with 4'-HYDROXYACETANILIDEDTXSID70169552RefChem:333424DTXCID4092043SCHEMBL20769833

Database identifiers

CAS: 17321-62-9
PubChem CID: 28478
DTXSID: DTXSID70169552

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 234

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