AG00BYLI

41070-12-6 | 3-IODOCINNAMIC ACID

AG00BYLI

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CAS Number	41070-12-6
Catalog Number	AG00BYLI(AGN-PC-01GBCS)
Chemical Name	3-IODOCINNAMIC ACID
IUPAC Name	(E)-3-(3-iodophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H7IO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key	XQOFQTFBKOHMCW-SNAWJCMRSA-N
MDL Number	MFCD00464508
Molecular Formula	C9H7IO2
Molecular Weight	274.0552
SMILES	O=C(O)/C=C/C1=CC=CC(I)=C1
Synonyms	3-(3-Iodophenyl)acrylic acid, 41070-12-6, 3-Iodocinnamic acid, (2E)-3-(3-iodophenyl)prop-2-enoic acid, 340682-23-7, SCHEMBL4808323, 3-(3-Iodophenyl)propenoic acid, MIX-0829, ZX-BK002435, BBL021709, MFCD00464508, STK894426, ZINC12404738, AKOS005144246, AKOS025311327, AS02227, DK-0019, FCH1331448, FCH5264209, NCGC00337410-01, (E)-3-(3-iodophenyl)-2-propenoic acid, AJ-62150, BBV-68535847, SC-41212, AB0024812, AX8226922, TC-134914, H8287, ST24022545, W6157, AB01330451-02, C9H7IO2, ACN-042046,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	273.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.057g/mol
Monoisotopic Mass	273.949g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H317-H319
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number