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146895-21-8 | Pentanoic acid, 1-ethynylbutyl ester
CAS No: 146895-21-8 Catalog No: AG001EF5 MDL No:
Product Description
Catalog Number:
AG001EF5
Chemical Name:
Pentanoic acid, 1-ethynylbutyl ester
CAS Number:
146895-21-8
Molecular Formula:
C11H18O2
Molecular Weight:
182.2594
IUPAC Name:
hex-1-yn-3-yl pentanoate
InChI:
InChI=1S/C11H18O2/c1-4-7-9-11(12)13-10(6-3)8-5-2/h3,10H,4-5,7-9H2,1-2H3
InChI Key:
VZBSKMQPPOCSPF-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC(CCC)C#C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.263g/mol
Monoisotopic Mass:
182.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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