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115996-72-0

115996-72-0 structural image
Product Name: 2H-Pyran-4-carboxylicacid,tetrahydro-4-hydroxy-,methylester(9CI)
Formula: C7H12O4
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 160.17 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 160.07355886 g/mol
Monoisotopic Mass 160.07355886 g/mol
Topological Polar Surface Area 55.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 149
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

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