AG001URP

1643-29-4 | Benzenepropanoic acid, 4-iodo-

AG001URP

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CAS Number	1643-29-4
Catalog Number	AG001URP(AGN-PC-0JOANV)
Chemical Name	Benzenepropanoic acid, 4-iodo-
IUPAC Name	3-(4-iodophenyl)propanoic acid
InChI	InChI=1S/C9H9IO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key	SJMRZGIIQIWIFS-UHFFFAOYSA-N
MDL Number	MFCD00017597
Molecular Formula	C9H9IO2
Molecular Weight	276.0710
NSC Number	31595
SMILES	O=C(O)CCC1=CC=C(I)C=C1
Synonyms	3-(4-iodophenyl)propanoic acid, 1643-29-4, 3-(4-Iodophenyl)propionic acid, benzenepropanoic acid, 4-iodo-, 4-Iodohydrocinnamic acid, MFCD00017597, NSC31595, AC1L5PLT, AC1Q4PIL, 4-Iodobenzenepropanoic acid, 4-(Iodohydro)cinnamic acid, 4-Iodo-benzenepropanoic acid, Benzenepropanoic acid,4-iodo-, SCHEMBL1007160, CTK4D1787, 3-(4'-iodophenyl)propanoic acid, DTXSID90283446, 3-(4'-Iodophenyl)propionic acid, SJMRZGIIQIWIFS-UHFFFAOYSA-N, KS-00000L2K, ZINC1663872, ANW-45262, CI-374, NSC-31595, SBB052832, AKOS009159241, PS-7248, QC-3767, RP06564, AJ-28947, AK-33583, AN-49609, SC-45457, SY016883, AB0000254, AB1010083, DB-006240, ST2404778, TR-033600, 4CH-003390, FT-0082241, FT-0600353, W3584, (EO(1/4)A)3-(4-Iodophenyl)propionic acid, MFCD00017597 (95%), B-2148, 643I294, A810557, S01-0289, W-205934, null, C9H9IO2, 3-(4-Iodophenyl)propionicacid, AR-1H8710, CID233238, ACN-029043, 3-(4-iodophenyl)propanoic acid, 95% - 1G 1g, 20064-00-0,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.965g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.073g/mol
Monoisotopic Mass	275.965g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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