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10519-20-7 | ETHYL 2-OCTYNOATE
CAS No: 10519-20-7 Catalog No: AG003Q54 MDL No:
Product Description
Catalog Number:
AG003Q54
Chemical Name:
ETHYL 2-OCTYNOATE
CAS Number:
10519-20-7
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
ethyl oct-2-ynoate
InChI:
InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3
InChI Key:
QPMDWYXUSMRVKT-UHFFFAOYSA-N
SMILES:
CCCCCC#CC(=O)OCC
EC Number:
234-058-5
UNII:
XTH780U0N3
NSC Number:
74485
Properties
Complexity:
183
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:
3.5
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