Home Other Building Blocks 1-(TERT-BUTYL)-2-ETHYNYLBENZENE

1-(TERT-BUTYL)-2-ETHYNYLBENZENE

CAS No.:
175700-37-5
Catalog Number:
AG01DYVF
Molecular Formula:
C12H14
Molecular Weight:
158.2396
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Product Description
Catalog Number:
AG01DYVF
Chemical Name:
1-(TERT-BUTYL)-2-ETHYNYLBENZENE
CAS Number:
175700-37-5
Molecular Formula:
C12H14
Molecular Weight:
158.2396
MDL Number:
MFCD20282797
IUPAC Name:
1-tert-butyl-2-ethynylbenzene
InChI:
InChI=1S/C12H14/c1-5-10-8-6-7-9-11(10)12(2,3)4/h1,6-9H,2-4H3
InChI Key:
QLRYOPIKQXZEDV-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1C(C)(C)C
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.244g/mol
Monoisotopic Mass:
158.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties