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113702-86-6 | 9-Tridecynoic acid, 13-(4-iodophenyl)-
CAS No: 113702-86-6 Catalog No: AG0009EO MDL No:
Product Description
Catalog Number:
AG0009EO
Chemical Name:
9-Tridecynoic acid, 13-(4-iodophenyl)-
CAS Number:
113702-86-6
Molecular Formula:
C19H25IO2
Molecular Weight:
412.3051
IUPAC Name:
13-(4-iodophenyl)tridec-9-ynoic acid
InChI:
InChI=1S/C19H25IO2/c20-18-15-13-17(14-16-18)11-9-7-5-3-1-2-4-6-8-10-12-19(21)22/h13-16H,1-2,4,6-12H2,(H,21,22)
InChI Key:
POINXIICXNZVRD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCC#CCCCc1ccc(cc1)I
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.311g/mol
Monoisotopic Mass:
412.09g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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