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89408-70-8 | 5,8-Nonadiynoic acid, 9-iodo-
CAS No: 89408-70-8 Catalog No: AG003VS7 MDL No:
Product Description
Catalog Number:
AG003VS7
Chemical Name:
5,8-Nonadiynoic acid, 9-iodo-
CAS Number:
89408-70-8
Molecular Formula:
C9H9IO2
Molecular Weight:
276.0710
IUPAC Name:
9-iodonona-5,8-diynoic acid
InChI:
InChI=1S/C9H9IO2/c10-8-6-4-2-1-3-5-7-9(11)12/h3-5,7H2,(H,11,12)
InChI Key:
MWFPETVGMPAOOJ-UHFFFAOYSA-N
SMILES:
IC#CCC#CCCCC(=O)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.073g/mol
Monoisotopic Mass:
275.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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