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1131614-77-1

1131614-77-1 | 3-Iodo-4-((tetrahydro-2H-pyran-4-yl)oxy)benzoic acid

CAS No: 1131614-77-1 Catalog No: AG00HCN8 MDL No:

Product Description

Catalog Number:
AG00HCN8
Chemical Name:
3-Iodo-4-((tetrahydro-2H-pyran-4-yl)oxy)benzoic acid
CAS Number:
1131614-77-1
IUPAC Name:
3-iodo-4-(oxan-4-yloxy)benzoic acid
InChI:
InChI=1S/C12H13IO4/c13-10-7-8(12(14)15)1-2-11(10)17-9-3-5-16-6-4-9/h1-2,7,9H,3-6H2,(H,14,15)
InChI Key:
LIBWGSSTTGAAHZ-UHFFFAOYSA-N

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.986g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
348.136g/mol
Monoisotopic Mass:
347.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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