5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)

HCID 229258

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Basic information

CAS: 6305-92-6
Standard SMILES: CCOC(=O)c1c(Cc2[nH]c(C(=O)O)c(C)c2C(=O)OCC)[nH]c(C(=O)O)c1C
InChIKey: XGDNUJGQQURYIW-UHFFFAOYSA-N
Molecular formula: C19H22N2O8
Average molar mass: 406.4 g/mol
Monoisotopic mass: 406.13761566

Names & identifiers

Preferred name: 5,5'-Methylenebis(4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid)
IUPAC: 5-[(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
English name: 5-[(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethox ycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
Molecular formula: C19H22N2O8
Molecular weight: 406.39

Names & synonyms

6305-92-65,5'-METHYLENEBIS(4-(ETHOXYCARBONYL)-3-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID)5,5'-Methylenebis[4-(ethoxycarbonyl)-3-methyl-1H-pyrrole-2-carboxylic acid]NSC22706DTXSID10281727NSC-22706AKOS0244060491H-Pyrrole-2,4-dicarboxylic acid, 5,5'-methylenebis[3-methyl-, 4,4'-diethyl ester (9CI)5-[(5-carboxy-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-ethox ycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid

Database identifiers

CAS: 6305-92-6
PubChem CID: 229258
DTXSID: DTXSID10281727

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 159 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 29
Formal charge: 0
Complexity: 600

Chemistry & industry

Suppliers2 total

HONEST JOY HOLDINGS LIMITED[email protected]

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

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