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4-[hydroxy (diphenyl) methyl]benzoic acid

CAT: 1731-FH HF 0190-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-FH HF 0190-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19672-49-2
MDL Number
MFCD01851481
Purity
0.95
Smiles
O=C (O) c1ccc (C (O) (c2ccccc2) c2ccccc2) cc1
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

4-(Diphenylhydroxymethyl)benzoic acid
CAS Number19672-49-2
PubChem CID348961
IUPAC Name4-[hydroxy(diphenyl)methyl]benzoic acid
Molecular FormulaC20H16O3
Molecular Weight304.3
XLogP3.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity368
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(=O)O)O
InChI
InChI=1S/C20H16O3/c21-19(22)15-11-13-18(14-12-15)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,23H,(H,21,22)
InChIKey
CPZWBWPALJLUBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Diphenylhydroxymethyl)benzoic acid
CAS: 19672-49-2
CID: 348961
Formula: C20H16O3
MW: 304.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass304.109944368
Monoisotopic Mass304.109944368
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity368
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