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4,4'-Bibenzoic acid

CAT: 0931-TYD-00307-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-00307-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
787-70-2
Bioactivity
4,4'-Bibenzoic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
O=C(C1=CC=C(C2=CC=C(C(O)=O)C=C2)C=C1)O
Molecular Formula
C14H10O4
Molecular Weight
242.2268
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1,1'-Biphenyl)-4,4'-dicarboxylic acid

structure in first source

CAS Number787-70-2
PubChem CID13084
IUPAC Name4-(4-carboxyphenyl)benzoic acid
Molecular FormulaC14H10O4
Molecular Weight242.23
XLogP3.4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity278
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)
InChIKey
NEQFBGHQPUXOFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1,1'-Biphenyl)-4,4'-dicarboxylic acid
CAS: 787-70-2
CID: 13084
Formula: C14H10O4
MW: 242.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass242.05790880
Monoisotopic Mass242.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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