5- (4-Iodophenyl) pentanoic acid

CAT: 0926-FI180843-01Size: 0.05 gDry Ice: NoHazardous: No

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CAT#:0926-FI180843-01Size:0.05 g

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CAS Number

116680-98-9

Synonyms

4-Iodobenzenepentanoic acid

Smiles

C1=CC (=CC=C1CCCCC (=O) O) I

Molecular Formula

C11H13IO2

Molecular Weight

304.12 g/mol

Controlled

Chemical Information

5-(4-Iodophenyl)pentanoic acid

CAS Number	116680-98-9
PubChem CID	40479721
IUPAC Name	5-(4-iodophenyl)pentanoic acid
Molecular Formula	C11H13IO2
Molecular Weight	304.12
XLogP	3.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	174

SMILES

C1=CC(=CC=C1CCCCC(=O)O)I

InChI

InChI=1S/C11H13IO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)

InChIKey

AVVFIQYGBUOFDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116680-98-9

CID: 40479721

Formula: C11H13IO2

MW: 304.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.12
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	303.99603
Monoisotopic Mass	303.99603
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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