4,4'-Oxybis (benzoic acid)

CAT: 0926-FO39729Size: 0.5 KgDry Ice: NoHazardous: No

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CAT#:0926-FO39729Size:0.5 Kg

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CAS Number

2215-89-6

MDL Number

MFCD00013988

Smiles

C1=CC (=CC=C1C (=O) O) OC2=CC=C (C=C2) C (=O) O

Molecular Formula

C14H10O5

Molecular Weight

258.23 g/mol

Controlled

Chemical Information

4,4'-Oxybis(benzoic acid)

structure in first source

CAS Number	2215-89-6
PubChem CID	75183
IUPAC Name	4-(4-carboxyphenoxy)benzoic acid
Molecular Formula	C14H10O5
Molecular Weight	258.23
XLogP	3.4
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	293

SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H10O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChIKey

WVDRSXGPQWNUBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2215-89-6

CID: 75183

Formula: C14H10O5

MW: 258.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.23
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	258.05282342
Monoisotopic Mass	258.05282342
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZAC13582-01	4- (4-Acetylphenoxy) benzoic acid
NMB30104-01	4- (4-Propylphenoxy) benzoic acid
HFB22145-01	4- (4-Acetylbenzenesulfonamido) benzoic acid
FP61799-01	4- (4-Propylphenyl) benzoic acid
PPA62384-01	4- (4-bromophenoxymethyl) benzoic acid
SRB63916-01	4- (4-Carbamoylphenoxy) benzoic acid
VCA91698-01	4- (4-formylphenyl) benzoic acid
BFA14599-01	4- (4-Bromobenzenesulfonamido) benzoic acid
FP66093-01	4- (4-Phenylbutoxy) benzoic acid
FH61793-01	4- (4-Heptylphenyl) benzoic Acid

Catalog	Name
286239-01	4,4'-Oxybis (benzoic acid)
233594-01	4,4'-Oxybis (benzoic acid) 99+% (HPLC)
429202-01	4- (4-Hydroxyphenyl) benzoic acid
429109-01	4- (4-Cyanophenyl) benzoic acid
285819-01	4- (4-Nitrophenoxy) Benzoic Acid
TRC-P399250-250MG	4-(4-Phenylbutoxy)benzoic Acid
OR1102020-01	4- (4-Aminophenoxy) benzoic acid
OR1093550-01	4- (4-Methylbenzyl) benzoic acid
sc-226379	4- (4-Chlorophenoxy) benzoic acid
OR90539-01	4- (4-Hydroxyphenoxy) benzoic acid