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7425-27-6 | 4-Iodobutyric acid
CAS No: 7425-27-6 Catalog No: AG003LKV MDL No:MFCD00015852
Product Description
Catalog Number:
AG003LKV
Chemical Name:
4-Iodobutyric acid
CAS Number:
7425-27-6
Molecular Formula:
C4H7IO2
Molecular Weight:
214.0017
MDL Number:
MFCD00015852
IUPAC Name:
4-iodobutanoic acid
InChI:
InChI=1S/C4H7IO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChI Key:
HALXOXQZONRCAB-UHFFFAOYSA-N
SMILES:
ICCCC(=O)O
Properties
Complexity:
62.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.949g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.002g/mol
Monoisotopic Mass:
213.949g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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