Molecular Weight:214.2167 [g/mol]
Molecular Formula:C13H10O3
XLogP3-AA:2.6
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:12
Exact Mass:214.062994
MonoIsotopic Mass:214.062994
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Formal Charge:0
Complexity:246
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
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2
Safety and Handling
【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Safety】
Hazard Codes:?Xi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.
【Specification】
?3,4-Dihydroxybenzophenone , its cas register number is 10425-11-3. It also can be called Methanone, (3,4-dihydroxyphenyl)phenyl- ; (3,4-Dihydroxyphenyl)(phenyl)methanone ; and (3,4-Dihydroxyphenyl)phenylmethanone .