Home Other Building Blocks 5-Hexynoic acid tert-butyl ester

5-Hexynoic acid tert-butyl ester

CAS No.:
73448-14-3
Catalog Number:
AG003APL
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
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Product Description
Catalog Number:
AG003APL
Chemical Name:
5-Hexynoic acid tert-butyl ester
CAS Number:
73448-14-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD13192076
IUPAC Name:
tert-butyl hex-5-ynoate
InChI:
InChI=1S/C10H16O2/c1-5-6-7-8-9(11)12-10(2,3)4/h1H,6-8H2,2-4H3
InChI Key:
XHIPLUJCVSEZTN-UHFFFAOYSA-N
SMILES:
C#CCCCC(=O)OC(C)(C)C
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties