3- (3-Iodophenoxy) propanoic acid

CAT: 0926-UTB42617-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-UTB42617-01Size:100 mg

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CAS Number

1094426-17-1

MDL Number

MFCD11182861

Smiles

C1=CC (=CC (=C1) I) OCCC (=O) O

Molecular Formula

C9H9IO3

Molecular Weight

292.07 g/mol

Controlled

Chemical Information

3-(3-Iodophenoxy)propanoic acid

CAS Number	1094426-17-1
PubChem CID	43144782
IUPAC Name	3-(3-iodophenoxy)propanoic acid
Molecular Formula	C9H9IO3
Molecular Weight	292.07
XLogP	2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	172

SMILES

C1=CC(=CC(=C1)I)OCCC(=O)O

InChI

InChI=1S/C9H9IO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)

InChIKey

RWYHMFPPGLDKMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1094426-17-1

CID: 43144782

Formula: C9H9IO3

MW: 292.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	292.07
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	291.95964
Monoisotopic Mass	291.95964
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172
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

Catalog	Name
DEA44061-01	3- (2-Iodophenoxy) propanoic acid
KAA44247-01	(2S) -2- (4-Iodophenoxy) propanoic acid
BAA87893-01	2- (3-Iodophenoxy) acetic acid
FI70889-01	(4-Iodophenoxy) acetic acid
JBA39977-01	3- (3-Oxocyclopentyl) propanoic acid
WKC85424-01	3- (3-Bromobenzenesulfonyl) propanoic acid
DNB90719-01	3- (3-nitrobenzenesulfonamido) propanoic acid
TCA03475	3- (3-Iodophenyl) propanoic acid
TAA38603-01	3- (3-bromophenoxy) propanoic acid
KGB79243-01	3- (3-Bromobenzenesulfonamido) propanoic acid

Catalog	Name
465320-01	S-2-Amino-3- (4- (4- (4-hydroxy-3-iodophenoxy) -3-iodophenoxy) -3,5-diiodophenyl) propanoic Acid
TRC-A634490-25MG	(S)-2-Amino-3-(4-(4-(4-hydroxy-3-iodophenoxy)-3-iodophenoxy)-3,5-diiodophenyl)propanoic Acid
465321-01	S-2-Amino-3- (4- (4- (4-hydroxy-3,5-diiodophenoxy) -3-iodophenoxy) -3,5-diiodophenyl) propanoic Acid
HY-W046360	3- (benzyloxy) propanoic acid
TN8566-01	3-Hydroxyphenylphosphinyl-propanoic acid
TCL-00115-01	3- (Decyloxy) propanoic acid
423172-01	3- (Diethylphosphono) propanoic acid
RG-A262104-01	3- (Acryloyloxy) Propanoic Acid
TRC-P270605-10MG	3-Perfluoroheptyl Propanoic Acid
sc-310262	3- (Ethylsulfonyl) propanoic acid