AG000JZS

123039-72-5 | Benzoic acid, 4-amino-3,5-dimethoxy-

AG000JZS

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CAS Number	123039-72-5
Catalog Number	AG000JZS(AGN-PC-0O0JX6)
Chemical Name	Benzoic acid, 4-amino-3,5-dimethoxy-
IUPAC Name	4-amino-3,5-dimethoxybenzoic acid
InChI	InChI=1S/C9H11NO4/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key	LVDQOCGPVJLBKQ-UHFFFAOYSA-N
MDL Number	MFCD03425882
Molecular Formula	C9H11NO4
Molecular Weight	197.1879
SMILES	O=C(O)C1=CC(OC)=C(N)C(OC)=C1
Synonyms	4-AMINO-3,5-DIMETHOXYBENZOIC ACID, 123039-72-5, Benzoic acid, 4-amino-3,5-dimethoxy-, Benzoic acid,4-amino-3,5-dimethoxy-, ACMC-1BYNG, SCHEMBL10337638, CTK4B3395, DTXSID80496907, LVDQOCGPVJLBKQ-UHFFFAOYSA-N, BCP22316, ZINC2580750, FCH847728, MFCD03425882, AKOS006279481, VZ28220, AJ-42900, AK135788, AS-40421, AB0059110, AX8093765, TX-013152,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.19g/mol
Monoisotopic Mass	197.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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