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4-(Hydroxymethyl)-5-Methyl-1,3-Dioxol-2-One

Catalog Number ACM91526180
CAS 91526-18-0
IUPAC Name 4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
Synonyms 4-(Hydroxymethyl)-5-Methyl-1,3-Dioxol-2-One
Molecular Weight 130.10
Molecular Formula C5H6O4
Canonical SMILES CC1=C(OC(=O)O1)CO
InChI InChI=1S/C5H6O4/c1-3-4(2-6)9-5(7)8-3/h6H,2H2,1H3
InChI Key JEQSUJXHFAXJOW-UHFFFAOYSA-N
Boiling Point 214 °C at 760 mmHg
Flash Point 92.8±18.6 °C
Purity 96%
Density 1.4±0.1 g/cm3
Complexity 170
Covalently-Bonded Unit Count 1
Exact Mass 130.02660867g/mol
Heavy Atom Count 9
Hydrogen Bond Acceptor Count 4
Monoisotopic Mass 130.02660867g/mol
Refractive Index 1.494
Rotatable Bond Count 1
Topological Polar Surface Area 55.8Ų
X Log P3 -0.2
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