4,4'-Biphenyldicarboxylic acid

Catalog Number	ACM787702-4
CAS	787-70-2
Structure
Description	Dendrimer building block.
Synonyms	Biphenyl-4,4'-dicarboxylicacid
IUPAC Name	4-(4-carboxyphenyl)benzoic acid
Molecular Weight	242.23
Molecular Formula	C14H10O4
Canonical SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
InChI	InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key	NEQFBGHQPUXOFH-UHFFFAOYSA-N
Boiling Point	482.5±38.0 °C(Predicted)
Melting Point	283 °C (dec.)
Purity	97%
Density	1.347±0.06 g/cm3(Predicted)
Appearance	Off-white solid
Complexity	278
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
EC Number	284-111-1;212-328-3
Exact Mass	242.05790880g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
MDL Number	MFCD00002554
Monoisotopic Mass	242.05790880g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6Ų