AG00CL1R

338454-02-7 | Methyl 3,5-dihydroxy-4-iodobenzoate

AG00CL1R

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CAS Number	338454-02-7
Catalog Number	AG00CL1R(AGN-PC-07BXUU)
Chemical Name	Methyl 3,5-dihydroxy-4-iodobenzoate
IUPAC Name	methyl 3,5-dihydroxy-4-iodobenzoate
InChI	InChI=1S/C8H7IO4/c1-13-8(12)4-2-5(10)7(9)6(11)3-4/h2-3,10-11H,1H3
InChI Key	CONSJSAOECUWLV-UHFFFAOYSA-N
MDL Number	MFCD15071424
Molecular Formula	C8H7IO4
Molecular Weight	294.0433
SMILES	O=C(OC)C1=CC(O)=C(I)C(O)=C1
Synonyms	methyl 3,5-dihydroxy-4-iodobenzoate, 338454-02-7, 3,5-Dihydroxy-4-iodo-benzoic acid methyl ester, AK141789, methyl3,5-dihydroxy-4-iodobenzoate, SCHEMBL6872746, KS-00000RVA, DTXSID50669828, CONSJSAOECUWLV-UHFFFAOYSA-N, CM-064, MFCD15071424, ZINC45328549, AKOS015917172, DS-7317, FCH1388020, AJ-110405, AX8281929, DB-012457, A5999, CS-0090457, FT-0655408, 3,5-Dihydroxy-4-iodobenzoic acid methyl ester, A1-08859, Benzoic acid, 3,5-dihydroxy-4-iodo-, methyl ester, S01-0646,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.939g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	294.044g/mol
Monoisotopic Mass	293.939g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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