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126513-77-7 | Heptadecanoic acid, 17-iodo-3,3-dimethyl-
CAS No: 126513-77-7 Catalog No: AG000SVO MDL No:
Product Description
Catalog Number:
AG000SVO
Chemical Name:
Heptadecanoic acid, 17-iodo-3,3-dimethyl-
CAS Number:
126513-77-7
Molecular Formula:
C19H37IO2
Molecular Weight:
424.4004
IUPAC Name:
17-iodo-3,3-dimethylheptadecanoic acid
InChI:
InChI=1S/C19H37IO2/c1-19(2,17-18(21)22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20/h3-17H2,1-2H3,(H,21,22)
InChI Key:
BWLXURUXFKOLIS-UHFFFAOYSA-N
SMILES:
ICCCCCCCCCCCCCCC(CC(=O)O)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.407g/mol
Monoisotopic Mass:
424.184g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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