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 |