3-(3-Methylisoxazol-5-yl)propan-1-ol

Catalog Number

ACM105658499

Product Name

3-(3-Methylisoxazol-5-yl)propan-1-ol

Structure

CAS

105658-49-9

Category

Heterocyclic Organic Compound

Synonyms

3-(3-methylisoxazol-5-yl)propan-1-ol;105658-49-9;3-Methyl-5-isoxazolepropanol;3-(3-methyl-1,2-oxazol-5-yl)propan-1-ol;3-(3-Methyl-5-isoxazolyl)-1-propanol;5-(3-hydroxypropyl)-3-methyl isoxazole;5-Isoxazolepropanol,3-methyl-;ACMC-1C8R5;SCHEMBL1052595;DTXSID00434043;AMY18164;ZINC2540028;AKOS005207024;MCULE-5126782118;3-(3-Methylisoxazol-5-yl)propyl alcohol;AC-13243;AS-50092;AB0033057;DB-059374;CS-0061410;FT-0714639;X6519;L-3181;J-510623;F2147-0167

IUPAC Name

3-(3-methyl-1,2-oxazol-5-yl)propan-1-ol

Molecular Weight

141.17g/mol

Molecular Formula

C7H11NO2

Canonical SMILES

CC1=NOC(=C1)CCCO

InChI

InChI=1S/C7H11NO2/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,2-4H2,1H3

InChI Key

WLKCJYLGRDETLU-UHFFFAOYSA-N

Boiling Point

270.5ºC at 760mmHg

Flash Point

117.4ºC

Density

1.098g/cm³

Complexity

97.6

Covalently-Bonded Unit Count

1

Exact Mass

141.078978594g/mol

H-Bond Acceptor

3

H-Bond Donor

1

Heavy Atom Count

10

Hydrogen Bond Acceptor Count

3

Monoisotopic Mass

141.078978594g/mol

Rotatable Bond Count

3

Topological Polar Surface Area

46.3Ų

XLogP3

0.7

MSDS

COA

Spec Sheet