Pitofenone Impurity 4

CAT: 1596-AR-B06755-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06755-02Size:25 Units

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CAS Number

85-57-4

Synonyms

2-Benzoyl-5-hydroxybenzoic acid

Molecular Formula

C14H10O4

Molecular Weight

242.23

API Name

Pitofenone

Chemical Information

2-(4-Hydroxybenzoyl)benzoic acid

Hibenzate is a small molecule drug. Hibenzate has a monoisotopic molecular weight of 242.06 Da.

CAS Number	85-57-4
PubChem CID	6814
IUPAC Name	2-(4-hydroxybenzoyl)benzoic acid
Molecular Formula	C14H10O4
Molecular Weight	242.23
XLogP	2.1
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	318

SMILES

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

InChI

InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)

InChIKey

YGTUPRIZNBMOFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 85-57-4

CID: 6814

Formula: C14H10O4

MW: 242.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.23
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	242.05790880
Monoisotopic Mass	242.05790880
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	318
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
AR-B06756-01	Pitofenone Impurity 5
AR-P02212-01	Pitofenone
AR-P31961-01	Pitofenone Acid
AR-P02213-01	Pitofenone-d4
AR-N01600-01	Nintedanib Impurity 4 (Intedanib Impurity 4)
AR-L07283-01	Limonene Impurity 4
AR-L00986-01	Levothyroxine Impurity 4
AR-L01517-01	Levofloxacin Impurity 4
AR-L06997-01	Levocarnitine Impurity 4
AR-L06980-01	Levocabastine Impurity 4

Catalog	Name
T69131-01	Pitofenone
561768	Pitofenone HCl
T4466-01	Pitofenone hydrochloride
CS-O-42116	Pitofenone D4
TMIH-0444-01	Pitofenone-d4
A17053-100	Pitofenone Hydrochloride 100mg
A17053-10	Pitofenone Hydrochloride 10mg
462717-01	Pitofenone-d4 Hydrochloride
A17053-50	Pitofenone Hydrochloride 50mg
A17053-25	Pitofenone Hydrochloride 25mg