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1131614-52-2 | 4-(2-Ethoxyethoxy);-3-iodobenzoic acid
CAS No: 1131614-52-2 Catalog No: AG00HCML MDL No:MFCD11110803
Product Description
Catalog Number:
AG00HCML
Chemical Name:
4-(2-Ethoxyethoxy);-3-iodobenzoic acid
CAS Number:
1131614-52-2
Molecular Formula:
C11H13IO4
Molecular Weight:
336.1230
MDL Number:
MFCD11110803
IUPAC Name:
4-(2-ethoxyethoxy)-3-iodobenzoic acid
InChI:
InChI=1S/C11H13IO4/c1-2-15-5-6-16-10-4-3-8(11(13)14)7-9(10)12/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChI Key:
QHICQURDLYIYEF-UHFFFAOYSA-N
SMILES:
CCOCCOc1ccc(cc1I)C(=O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.125g/mol
Monoisotopic Mass:
335.986g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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