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1131614-41-9 | 3-Iodo-4-(pentyloxy)benzoic acid
CAS No: 1131614-41-9 Catalog No: AG00HCMA MDL No:MFCD11110796
Product Description
Catalog Number:
AG00HCMA
Chemical Name:
3-Iodo-4-(pentyloxy)benzoic acid
CAS Number:
1131614-41-9
Molecular Formula:
C12H15IO3
Molecular Weight:
334.1502
MDL Number:
MFCD11110796
IUPAC Name:
3-iodo-4-pentoxybenzoic acid
InChI:
InChI=1S/C12H15IO3/c1-2-3-4-7-16-11-6-5-9(12(14)15)8-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,14,15)
InChI Key:
BGOAIPSNPARGNA-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1I)C(=O)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.153g/mol
Monoisotopic Mass:
334.007g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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