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1131614-78-2 | 4-(Hexyloxy)-3-iodobenzoic acid
CAS No: 1131614-78-2 Catalog No: AG00HCN9 MDL No:
Product Description
Catalog Number:
AG00HCN9
Chemical Name:
4-(Hexyloxy)-3-iodobenzoic acid
CAS Number:
1131614-78-2
IUPAC Name:
4-hexoxy-3-iodobenzoic acid
InChI:
InChI=1S/C13H17IO3/c1-2-3-4-5-8-17-12-7-6-10(13(15)16)9-11(12)14/h6-7,9H,2-5,8H2,1H3,(H,15,16)
InChI Key:
LHVYCDHEIWPZAI-UHFFFAOYSA-N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.18g/mol
Monoisotopic Mass:
348.022g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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