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313701-78-9

313701-78-9 structural image
Product Name: 3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Formula: C14H15NO2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P243:Take precautionary measures against static discharge.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 229.27 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 229.110278721 g/mol
Monoisotopic Mass 229.110278721 g/mol
Topological Polar Surface Area 42.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 282
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