2,3-Bis(benzyloxy)benzene-1,4-dicarboxylic acid

HCID 13765161

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Basic information

CAS: 131933-37-4
Standard SMILES: O=C(O)c1ccc(C(=O)O)c(OCc2ccccc2)c1OCc1ccccc1
InChIKey: MNGZHXUINUBLGV-UHFFFAOYSA-N
Molecular formula: C22H18O6
Average molar mass: 378.4 g/mol
Monoisotopic mass: 378.1103383

Names & identifiers

Preferred name: 2,3-Bis(benzyloxy)benzene-1,4-dicarboxylic acid
IUPAC: 2,3-bis(phenylmethoxy)terephthalic acid

Names & synonyms

131933-37-42,3-Bis(benzyloxy)terephthalic acid2,3-Bis(benzyloxy)benzene-1,4-dicarboxylic acidSCHEMBL3424839DTXSID80548839MNGZHXUINUBLGV-UHFFFAOYSA-NAE-842/31981037

Database identifiers

CAS: 131933-37-4
PubChem CID: 13765161
DTXSID: DTXSID80548839
Nikkaji: J1.509.487G

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 463

Related reactions

1 records

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HRID 59182As productuspto-grants-2016_09

Compound notes

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