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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-Butynoic acid, 2,2-dimethyl-, methyl ester

COC(=O)C(C#C)(C)C Request for Quotation
Chemical Name: 3-Butynoic acid, 2,2-dimethyl-, methyl ester
CAS Number: 95924-34-8
Product Number: AG006A56(AGN-PC-0044JX)
Synonyms:
MDL No:
Molecular Formula: C7H10O2
Molecular Weight: 126.1531

Identification/Properties

Properties
BP:
138.5±23.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
126.155g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
126.068g/mol
Monoisotopic Mass:
126.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
159
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:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 2,2-dimethylbut-3-ynoate is a versatile compound widely used in chemical synthesis as a key building block. Its unique structure allows for various functional group manipulations, making it an essential component in the creation of complex organic molecules. Due to its high reactivity, it serves as a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Additionally, Methyl 2,2-dimethylbut-3-ynoate plays a crucial role in the manufacturing of specialty polymers and materials with specific properties. This compound offers chemists a powerful tool for designing and constructing intricate molecular structures with enhanced properties for a wide range of applications.