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2-Benzoylbenzoic Acid

CAT: 0286-B04540Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-B04540Size:500 g
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CAS Number
85-52-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002472
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Benzoylbenzoic Acid

structure in first source

CAS Number85-52-9
PubChem CID6813
IUPAC Name2-benzoylbenzoic acid
Molecular FormulaC14H10O3
Molecular Weight226.23
XLogP2.3
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity292
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChIKey
FGTYTUFKXYPTML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzoylbenzoic Acid
CAS: 85-52-9
CID: 6813
Formula: C14H10O3
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass226.062994177
Monoisotopic Mass226.062994177
Topological Polar Surface Area54.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity292
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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