AG003GCW

61948-85-4 | 2-amino-3,4,5-trimethoxybenzoic acid

AG003GCW

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CAS Number	61948-85-4
Catalog Number	AG003GCW(AGN-PC-0JM20A)
Chemical Name	2-amino-3,4,5-trimethoxybenzoic acid
EC Number	263-344-2
IUPAC Name	2-amino-3,4,5-trimethoxybenzoic acid
InChI	InChI=1S/C10H13NO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,11H2,1-3H3,(H,12,13)
InChI Key	JSHSRQCOCMIIPA-UHFFFAOYSA-N
MDL Number	MFCD00051630
Molecular Formula	C10H13NO5
Molecular Weight	227.2139
NSC Number	81441
SMILES	O=C(O)C1=CC(OC)=C(OC)C(OC)=C1N
Synonyms	2-Amino-3,4,5-trimethoxybenzoic acid, 61948-85-4, 3,4,5-Trimethoxyanthranilic acid, MFCD00051630, JSHSRQCOCMIIPA-UHFFFAOYSA-N, Benzoic acid,2-amino-3,4,5-trimethoxy-, Benzoic acid, 2-amino-3,4,5-trimethoxy-, NSC81441, EINECS 263-344-2, AC1L3WTC, Maybridge1_001555, AC1Q5TS5, Oprea1_155469, AC1Q46H8, ACMC-1B683, SCHEMBL2034454, CTK5B4087, HMS545O15, DTXSID80210983, ZINC156108, KS-000017VU, NSC-81441, SBB097118, STL512708, 2-Amino-3,4,5-trimethoxybenzoicAcid, AKOS001138421, CCG-233593, MCULE-5505420644, TRA0100234, AJ-13701, DB-054028, TC-170972, FT-0611029, ST50406927, X8026, 2-Amino-3,4,5-trimethoxybenzoic acid, 97%, EN300-14659, A-8653, I01-17755, Z104378242, C10H13NO5, CID96602, AR-1D8207, C10-H13-N-O5, A2770, 63133-89-1,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.079g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.216g/mol
Monoisotopic Mass	227.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	91A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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