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Specification
The PubChem CID for 4,4'-Bis(hydroxymethyl)biphenyl is 68743501.
The molecular formula of 4,4'-Bis(hydroxymethyl)biphenyl is C14H16O2.
The molecular weight of 4,4'-Bis(hydroxymethyl)biphenyl is 216.27 g/mol.
The IUPAC name of 4,4'-Bis(hydroxymethyl)biphenyl is [1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol.
The InChI of 4,4'-Bis(hydroxymethyl)biphenyl is InChI=1S/C14H16O2/c15-10-14(11-16)8-6-13(7-9-14)12-4-2-1-3-5-12/h1-8,15-16H,9-11H2.
The InChIKey of 4,4'-Bis(hydroxymethyl)biphenyl is HUGSFVOUFKFSCM-UHFFFAOYSA-N.
The canonical SMILES of 4,4'-Bis(hydroxymethyl)biphenyl is C1C=C(C=CC1(CO)CO)C2=CC=CC=C2.
The XLogP3-AA value of 4,4'-Bis(hydroxymethyl)biphenyl is 1.8.
The hydrogen bond donor count of 4,4'-Bis(hydroxymethyl)biphenyl is 2.
The hydrogen bond acceptor count of 4,4'-Bis(hydroxymethyl)biphenyl is 2.