AG003RPK

33994-44-4 | Methyl 3-(4-Iodophenyl)propanoate

AG003RPK

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CAS Number	33994-44-4
Catalog Number	AG003RPK(AGN-PC-0JSSQ3)
Chemical Name	Methyl 3-(4-Iodophenyl)propanoate
IUPAC Name	methyl 3-(4-iodophenyl)propanoate
InChI	InChI=1S/C10H11IO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3
InChI Key	LDCXVBUZHUHPAJ-UHFFFAOYSA-N
MDL Number	MFCD18399500
Molecular Formula	C10H11IO2
Molecular Weight	290.0976
SMILES	O=C(OC)CCC1=CC=C(I)C=C1
Synonyms	Methyl 3-(4-iodophenyl)propanoate, 33994-44-4, Benzenepropanoic acid, 4-iodo-, methyl ester, LDCXVBUZHUHPAJ-UHFFFAOYSA-N, AK209542, Methyl (4-iodophenyl)propanoate, AC1LBA0P, methyl p-iododihydrocinnamate, SCHEMBL343224, CTK6J2220, KS-00000BTC, Methyl3-(4-Iodophenyl)propanoate, 6984AJ, MFCD18399500, ZINC32223482, Methyl 3-(4-iodophenyl)propanoate #, AKOS017552732, TRA0081294, BBV-40248964, DS-10194, SY028002, 3-(4-Iodophenyl)propanoic acid methyl ester, MFCD18399500 (97%), C10H11IO2, CID554150,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.98g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.1g/mol
Monoisotopic Mass	289.98g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number