3- (2-Iodophenyl) propanoic acid

CAT: 0024-sc-260402Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-260402Size:100 mg

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CAS Number

96606-95-0

Chemical Information

3-(2-iodophenyl)propanoic Acid

CAS Number	96606-95-0
PubChem CID	2736667
IUPAC Name	3-(2-iodophenyl)propanoic acid
Molecular Formula	C9H9IO2
Molecular Weight	276.07
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

C1=CC=C(C(=C1)CCC(=O)O)I

InChI

InChI=1S/C9H9IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)

InChIKey

POJTZKMVSQVKNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96606-95-0

CID: 2736667

Formula: C9H9IO2

MW: 276.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.07
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	275.96473
Monoisotopic Mass	275.96473
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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
sc-256404	3- (4-Iodophenyl) propanoic acid
sc-256404A	3- (4-Iodophenyl) propanoic acid
sc-280325	3- (3-Iodophenyl) propionic acid
sc-280325A	3- (3-Iodophenyl) propionic acid
sc-275642	3- (2-furoylamino) propanoic acid
sc-344215A	3- (2-nitrophenoxy) propanoic acid
sc-344101	3- (2-bromophenoxy) propanoic acid
sc-344140A	3- (2-ethoxyphenyl) propanoic acid
sc-206596	3- (2-Pyridylthio) propanoic Acid
sc-309546	3- (2-Phenoxyphenyl) propanoic acid

Catalog	Name
WDA60695	3- (2-Iodophenyl) propanoic acid
JBA64572-01	2- (4-Iodophenyl) propanoic acid
TCA03475	3- (3-Iodophenyl) propanoic acid
GTR19275974-01	3- (4-Iodophenyl) propanoic acid
OR1069731-01	(S) -2-Amino-3- (2-iodophenyl) propanoic acid
RG-A262366-01	(S) -2-Amino-3- (3-Iodophenyl) Propanoic Acid
OR480318-01	(2S) -2-Amino-3- (3-iodophenyl) propanoic acid
OR1049336-01	(S) -2-Hydroxy-3- (4-iodophenyl) propanoic acid
OR1046706-01	(R) -2- ((tert-Butoxycarbonyl) amino) -3- (3-iodophenyl) propanoic acid
AVD24813-01	(2S) -2-Amino-3- (2-fluoro-5-iodophenyl) propanoic acid hydrochloride