2-Butynoic acid, methyl ester


Chemical Name: 2-Butynoic acid, methyl ester
CAS Number: 23326-27-4
Product Number: AG002MW1(AGN-PC-0JMRPV)
Synonyms:
MDL No:
Molecular Formula: C5H6O2
Molecular Weight: 98.0999

Identification/Properties


Properties
BP:
140.9°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
1.436-1.438
Computed Properties
Molecular Weight:
98.101g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
98.037g/mol
Monoisotopic Mass:
98.037g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
124
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#:
3272
Hazard Statements:
H226-H315-H319
Precautionary Statements:
P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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