Home Other Building Blocks 1-cyclobutyl-3-ethynylbenzene

1-cyclobutyl-3-ethynylbenzene

CAS No.:
1602816-47-6
Catalog Number:
AG01C3S7
Molecular Formula:
C12H12
Molecular Weight:
156.2237
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Product Description
Catalog Number:
AG01C3S7
Chemical Name:
1-cyclobutyl-3-ethynylbenzene
CAS Number:
1602816-47-6
Molecular Formula:
C12H12
Molecular Weight:
156.2237
MDL Number:
MFCD29060548
IUPAC Name:
1-cyclobutyl-3-ethynylbenzene
InChI:
InChI=1S/C12H12/c1-2-10-5-3-8-12(9-10)11-6-4-7-11/h1,3,5,8-9,11H,4,6-7H2
InChI Key:
BTSJGIPSLSFIJC-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)C1CCC1
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.228g/mol
Monoisotopic Mass:
156.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties