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1131614-44-2 | 3-Iodo-4-(pentan-2-yloxy)benzoic acid
CAS No: 1131614-44-2 Catalog No: AG00HCMD MDL No:MFCD11110798
Product Description
Catalog Number:
AG00HCMD
Chemical Name:
3-Iodo-4-(pentan-2-yloxy)benzoic acid
CAS Number:
1131614-44-2
Molecular Formula:
C12H15IO3
Molecular Weight:
334.1502
MDL Number:
MFCD11110798
IUPAC Name:
3-iodo-4-pentan-2-yloxybenzoic acid
InChI:
InChI=1S/C12H15IO3/c1-3-4-8(2)16-11-6-5-9(12(14)15)7-10(11)13/h5-8H,3-4H2,1-2H3,(H,14,15)
InChI Key:
YVWVNDKUMZCODA-UHFFFAOYSA-N
SMILES:
CCCC(Oc1ccc(cc1I)C(=O)O)C
Properties
Complexity:
232
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:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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