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1131614-89-5 | 3-Iodo-4-((tetrahydro-2H-pyran-4-yl)Methoxy)benzoic acid
CAS No: 1131614-89-5 Catalog No: AG00HCNH MDL No:
Product Description
Catalog Number:
AG00HCNH
Chemical Name:
3-Iodo-4-((tetrahydro-2H-pyran-4-yl)Methoxy)benzoic acid
CAS Number:
1131614-89-5
IUPAC Name:
3-iodo-4-(oxan-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C13H15IO4/c14-11-7-10(13(15)16)1-2-12(11)18-8-9-3-5-17-6-4-9/h1-2,7,9H,3-6,8H2,(H,15,16)
InChI Key:
KZAVWQIURIGYIV-UHFFFAOYSA-N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.163g/mol
Monoisotopic Mass:
362.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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