4-Pentynoic acid


Chemical Name: 4-Pentynoic acid
CAS Number: 6089-09-4
Product Number: AG00364W(AGN-PC-0JKGHO)
Synonyms:
MDL No:
Molecular Formula: C5H6O2
Molecular Weight: 98.0999

Identification/Properties


Properties
MP:
54-57 °C(lit.)
BP:
199.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Stability:
Light & Air Sensitive & Hygroscopic
Refractive Index:
1.3930 (estimate)
Computed Properties
Molecular Weight:
98.101g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
98.037g/mol
Monoisotopic Mass:
98.037g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
107
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

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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