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72653-14-6

72653-14-6 structural image
Product Name: 4-ACETYL-4-(ETHOXYCARBONYL)HEPTANEDIOIC ACID
Formula: C12H18O7
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 274.27 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 10
Exact Mass 274.10525291 g/mol
Monoisotopic Mass 274.10525291 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 354
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

PRODUCT INTRODUCTION

description

4-acetyl-4-(ethoxycarbonyl)heptanedioic acid is a carbonyl compound.