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Hex-4-ynoic acid structure

Hex-4-ynoic acid

CAS：41143-12-8
MW:112.128
MF：C6H8O2

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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: Hex-4-ynoic acid

1.2 Synonyms: 4-Hexynoic acid; 4-hexynoicacid; A6835; AKOS006380869; DTXSID90403142; Hex-4-insaeure; LMFA01030499; MFCD00230028; OR036239; p-hexynoic acid; SCHEMBL577217;

1.3 CAS No.: 41143-12-8

1.4 CID: 4424116

1.5 Molecular Formula: C6H8O2

1.6 Inchi: InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h4-5H2,1H3,(H,7,8)

1.7 InChkey: VTZDPQGGOUEESD-UHFFFAOYSA-N

1.8 Canonical Smiles: CC#CCCC(=O)O

1.9 Isomers Smiles: CC#CCCC(=O)O

2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

3. Synthesis Route

41143-12-8Total: 15 Synthesis Route

928-93-8

928-93-8 1 Suppliers

41143-12-8

41143-12-8 2 Suppliers

1577-22-6

1577-22-6 31 Suppliers

41143-12-8

41143-12-8 2 Suppliers

4. Precursor and Product

precursor:

70141-40-1

70141-40-1

3329-88-2

3329-88-2

53293-00-8

53293-00-8

62992-46-5

62992-46-5

89228-86-4

89228-86-4

1577-22-6

1577-22-6

61362-77-4

61362-77-4

18719-29-4

18719-29-4

85355-30-2

85355-30-2

928-93-8

928-93-8

product:

3393-34-8

3393-34-8

110-44-1

110-44-1

96017-67-3

96017-67-3

1136-87-4

1136-87-4

41143-17-3

41143-17-3

96017-68-4

96017-68-4

928-93-8

928-93-8

3740-59-8

3740-59-8

5. Computed Properties

Molecular Weight：112.128g/mol
Molecular Formula：C₆H₈O₂
Compound Is Canonicalized：True
Exact Mass：0.8
XLogP3-AA：112.052429494
Monoisotopic Mass：112.052429494
Complexity：135
Rotatable Bond Count：2
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：37.3
Heavy Atom Count：：8
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgBIEACQCAgAAAAAAAAAAAEAAAAAABAAAAAAQAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Toltal 2 Suppliers View more

4-Hexynoic acid

Chemiplus Corporation

Tel: Update Time:2019/11/25

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4-Hexynoic acid

Chemiplus Corporation

Tel: Update Time:2022/01/01

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7. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles

3. Synthesis Route

4. Precursor and Product

5. Computational chemical data

6. Toltal 2 Suppliers

7. Realated Product Infomation

CAS Products Suppliers

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