N-(3-Hydroxyphenyl)-2-methylpropanimidic acid

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Basic information

CAS: 55791-88-3
Standard SMILES: CC(C)C(=O)Nc1cccc(O)c1
InChIKey: RGSXNBKIMXWTIA-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: N-(3-Hydroxyphenyl)-2-methylpropanimidic acid
IUPAC: N-(3-hydroxyphenyl)-2-methylpropanamide
English name: N-(3-Hydroxyphenyl)-2-methylpropionamide
Molecular weight: 0

Names & synonyms

DTXSID30971173N-(3-Hydroxyphenyl)-2-methylpropanimidic acidRefChem:1091165DTXCID701398689N-(3-hydroxyphenyl)-2-methylpropanamide55791-88-33'-HydroxyisobutyranilidePropionanilide, 3'-hydroxy-2-methyl-N-(3-Hydroxyphenyl)-2-methylpropionamideBRN 2092395NSC222525Propanamide, N-(3-hydroxyphenyl)-2-methyl-

Show more names

WLN: QR CMVY1&1SCHEMBL2384797RGSXNBKIMXWTIA-UHFFFAOYSA-NFCA79188STK297676AKOS005429298NSC 222525NSC-222525

Database identifiers

CAS: 55791-88-3
PubChem CID: 99426
DTXSID: DTXSID30971173
Nikkaji: J92.612D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Related reactions

2 records

New reaction record

HRID 804062As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2066381As productuspto-grants-2012_10

Compound notes

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