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144226-58-4 | 2-Octynoic acid, 7-iodo-, methyl ester
CAS No: 144226-58-4 Catalog No: AG001J5L MDL No:
Product Description
Catalog Number:
AG001J5L
Chemical Name:
2-Octynoic acid, 7-iodo-, methyl ester
CAS Number:
144226-58-4
Molecular Formula:
C9H13IO2
Molecular Weight:
280.1028
IUPAC Name:
methyl 7-iodooct-2-ynoate
InChI:
InChI=1S/C9H13IO2/c1-8(10)6-4-3-5-7-9(11)12-2/h8H,3-4,6H2,1-2H3
InChI Key:
YOFKOEDCTARKLR-UHFFFAOYSA-N
SMILES:
COC(=O)C#CCCCC(I)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.105g/mol
Monoisotopic Mass:
279.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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