VINYL-N-VALERATE
Product Information
Molecular Formula
C7H12O2
Molecular Weight
128.16
Description
VINYL-N-VALERATE is a widely employed chemical compound in the biomedical field and has garnered significant attention due to its prospective therapeutic implications on various illnesses, notably cancer. Robust investigations have unveiled the formidable anti-neoplastic attributes inherent in VINYL-N-VALERATE, thereby stimulating profound interest in pursuing extensive investigation and pharmaceutical innovation to combat malignancies.
Synonyms
Vinyl valerate; ethenyl pentanoate; VINYL n-VALERATE; vinyl pentanoate; Valeriansaurevinylester; Valeric acid vinyl ester; Vinyl trimethylacetate; Vinyl valerate, contains <=1000 ppm hydroquinone as stabilizer, 97%
IUPAC Name
ethenyl pentanoate
SMILES
CCCCC(=O)OC=C
InChI
InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h4H,2-3,5-6H2,1H3
InChI Key
BLZSRIYYOIZLJL-UHFFFAOYSA-N
Flash Point
93.9 °CF - closed cup
Purity
0.97
Density
0.899 g/mL at 25 °C
Storage
−20°C
Refractive Index
n20/D 1.417
Safety Information
Hazards
H226 - H400
Precautionary Statement
P210 - P273
Computed Properties
XLogP3
2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
128.083729621 g/mol
Monoisotopic Mass
128.083729621 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
97.1
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
