Home Other Building Blocks 1-prop-2-ynoxy-4-tert-butyl-benzene

1-prop-2-ynoxy-4-tert-butyl-benzene

CAS No.:
48144-15-6
Catalog Number:
AG006X2J
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
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Product Description
Catalog Number:
AG006X2J
Chemical Name:
1-prop-2-ynoxy-4-tert-butyl-benzene
CAS Number:
48144-15-6
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD14631213
IUPAC Name:
1-tert-butyl-4-prop-2-ynoxybenzene
InChI:
InChI=1S/C13H16O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h1,6-9H,10H2,2-4H3
InChI Key:
LCKMFILTJDWOQW-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(cc1)C(C)(C)C
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties