AG003MTE

5438-36-8 | 4-Hydroxy-3-iodo-5-methoxybenzaldehyde

AG003MTE

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CAS Number	5438-36-8
Catalog Number	AG003MTE(AGN-PC-0JLS1O)
Chemical Name	4-Hydroxy-3-iodo-5-methoxybenzaldehyde
EC Number	226-617-7
IUPAC Name	4-hydroxy-3-iodo-5-methoxybenzaldehyde
InChI	InChI=1S/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChI Key	FBBCSYADXYILEH-UHFFFAOYSA-N
MDL Number	MFCD00006941
Molecular Formula	C8H7IO3
Molecular Weight	278.0439
NSC Number	16678
SMILES	O=CC1=CC(OC)=C(O)C(I)=C1
Synonyms	5-Iodovanillin, 4-Hydroxy-3-iodo-5-methoxybenzaldehyde, 5438-36-8, 5 Iodovanillin, Benzaldehyde, 4-hydroxy-3-iodo-5-methoxy-, 3-methoxy-4-hydroxy-5-iodobenzaldehyde, 5-iodo vanillin, 5-Iodovanillin, 97%, MFCD00006941, FBBCSYADXYILEH-UHFFFAOYSA-N, 5-iodovanilline, 5-iodovanilin, 5-iodo vaniline, NSC16678, EINECS 226-617-7, NSC 16678, AC1L2XIF, AC1Q4PFY, ACMC-1AO68, AC1Q489H, SCHEMBL1002420, DTXSID3063885, CTK5A0771, FBBCSYADXYILEH-UHFFFAOYSA-, TIMTEC-BB SBB006927, ZINC117579, KS-000010OH, ANW-32059, BBL012743, NSC-16678, SBB006927, STK093822, AKOS000120552, MCULE-9439616400, VZ27019, 3-iodo-4-hydroxy-5-methoxybenzaldehyde, 4-hydroxy-5-iodo-3-methoxybenzaldehyde, 4-hydroxy-5-methoxy-3-iodobenzaldehyde, UPCMLD0ENAT5212559:001, 4-hydroxy-3-iodo-5-methoxy-benzaldehyde, AJ-11536, AS-44228, ST058418, ZB003918, 4-Hydroxy-3-iodo-5-methoxybenzaldehyde #, Benzaldehyde,4-hydroxy-3-iodo-5-methoxy-, AB1002668, DB-052555, TC-120804, FT-0620522, I0427, T7971, I01-19307, F3095-2242, InChI=1/C8H7IO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3, 5-Jodvanillin, C8-H7-I-O3, CID79499, AR-1G2691, 3-Jod-4-hydroxy-5-methoxybenzaldehyd, 5-Iodovanillin, 97% - 25G 25g, 55953-72-5,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.944g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	278.045g/mol
Monoisotopic Mass	277.944g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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