2-Phenoxybenzoic acid
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Product Description
Product
2-Phenoxybenzoic acid
CAS
2243-42-7
Formula
C13H10O3
Synonym
2-Phenoxybenzoic acid; AI3-03453; Benzoic acid, 2-phenoxy-; Benzoic acid, o-phenoxy-; Benzoic acid, o-phenoxy- (8CI); EINECS 218-811-5; NSC 39656; o-Phenoxybenzoic acid; ortho-Phenoxybenzoic acid
Typical Product Specifications
Molecular weight
214.22
SMILES
O=C(O)c1ccccc1Oc1ccccc1
InChI
1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-N
pKa Dissociation Constant
3.53
log P (octanol-water)
3.11
Vapor Pressure
5.45E-06 mm Hg
Henry's Law Constant
2.37E-09 atm-m3/mole
Atmospheric OH Rate Constant
7.26E-12 cm3/molecule-sec
Melting Point
113 ° C
Water solubility
81.5 mg/L
Boiling Point
355 ° C
Class
2-Phenoxybenzoic acid
Product Description
Product
2-Phenoxybenzoic acid
CAS
2243-42-7
Formula
C13H10O3
Synonym
2-Phenoxybenzoic acid; AI3-03453; Benzoic acid, 2-phenoxy-; Benzoic acid, o-phenoxy-; Benzoic acid, o-phenoxy- (8CI); EINECS 218-811-5; NSC 39656; o-Phenoxybenzoic acid; ortho-Phenoxybenzoic acid
Typical Product Specifications
Molecular weight
214.22
SMILES
O=C(O)c1ccccc1Oc1ccccc1
InChI
1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-N
pKa Dissociation Constant
3.53
log P (octanol-water)
3.11
Vapor Pressure
5.45E-06 mm Hg
Henry's Law Constant
2.37E-09 atm-m3/mole
Atmospheric OH Rate Constant
7.26E-12 cm3/molecule-sec
Melting Point
113 ° C
Water solubility
81.5 mg/L
Boiling Point
355 ° C
Class
