Pyrrole-2,3-dicarboxylic acid, 4,5-bis(p-methoxyphenyl)-

HCID 201294

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Basic information

CAS: 5784-96-3
Standard SMILES: COc1ccc(-c2[nH]c(C(=O)O)c(C(=O)O)c2-c2ccc(OC)cc2)cc1
InChIKey: XORHKYRADZNTOD-UHFFFAOYSA-N
Molecular formula: C20H17NO6
Average molar mass: 367.4 g/mol
Monoisotopic mass: 367.10558726

Names & identifiers

Preferred name: Pyrrole-2,3-dicarboxylic acid, 4,5-bis(p-methoxyphenyl)-
IUPAC: 4,5-bis(4-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid
English name: 4,5-Bis(p-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid
Molecular formula: C20H17NO6
Molecular weight: 367.35

Names & synonyms

BRN 04982395784-96-3Pyrrole-2,3-dicarboxylic acid, 4,5-bis(p-methoxyphenyl)-4,5-Bis(p-methoxyphenyl)pyrrole-2,3-dicarboxylic acidDTXSID802065485-22-05-00610 (Beilstein Handbook Reference)RefChem:377859DTXCID101290394,5-bis(4-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid4,5-Bis(p-methoxyphenyl)-1H-pyrrole-2,3-dicarboxylic acid1H-Pyrrole-2,3-dicarboxylic acid, 4,5-bis(4-methoxyphenyl)-

Database identifiers

CAS: 5784-96-3
PubChem CID: 201294
DTXSID: DTXSID80206548
Nikkaji: J87.070F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 109 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 525

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