Cas no 2749-93-1 (Benzene,1-methyl-4-(1-propyn-1-yl)-)
2749-93-1 structure
Product Name:Benzene,1-methyl-4-(1-propyn-1-yl)-
Benzene,1-methyl-4-(1-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-4-(1-propyn-1-yl)-
- 1-methyl-4-prop-1-ynylbenzene
- 1-Methyl-4-(1-propynyl)benzene
- Benzene, 1-methyl-4-(1-propynyl)-
- NAYOGGQFBZAZIV-UHFFFAOYSA-N
- 2749-93-1
- Benzene, 1-methyl-4-(1-propyn-1-yl)-
- 1-methyl-4-(prop-1-ynyl)benzene
- 1-methyl-4-(1-propynyl)-benzene
- Benzene, 1-methyl-4-(1-propynyl)- (9CI)
- DTXSID20181906
- 1-Methyl-4-(1-propynyl)benzene #
- 1-METHYL-4-(PROP-1-YN-1-YL)BENZENE
- A18558
- ghl.PD_Mitscher_leg0.392
- 1-Methyl-4-(1-propyn-1-yl)-Benzene
-
- Inchi： 1S/C10H10/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,1-2H3
- InChI Key： NAYOGGQFBZAZIV-UHFFFAOYSA-N
- SMILES： C1(C)C=CC(C#CC)=CC=1
Computed Properties
- Exact Mass: 130.0783
- Monoisotopic Mass: 130.078250319g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene,1-methyl-4-(1-propyn-1-yl)- Related Literature
-
Tao Yang,Dorian S. N. Parker,Beni B. Dangi,Ralf I. Kaiser,Alexander M. Mebel Phys. Chem. Chem. Phys. 2015 17 10510
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