AG0036PD

6946-22-1 | 3-Aminophthalic acid, HCl

AG0036PD

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CAS Number	6946-22-1
Catalog Number	AG0036PD(AGN-PC-0JLT7F)
Chemical Name	3-Aminophthalic acid, HCl
EC Number	230-106-4
IUPAC Name	3-aminophthalic acid;hydrochloride
InChI	InChI=1S/C8H7NO4.ClH/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);1H
InChI Key	ZBZAVEORKXFUQB-UHFFFAOYSA-N
MDL Number	MFCD00150282
Molecular Formula	C8H8ClNO4
Molecular Weight	217.6064
SMILES	Cl.NC1=C(C(C(=O)O)=CC=C1)C(=O)O
Synonyms	3-Aminophthalic acid hydrochloride, 6946-22-1, 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride, AK-80448, 1,2-Benzenedicarboxylic acid, 3-amino-, hydrochloride (1:1), Phthalic acid, hydrochloride, 1, 3-amino-, hydrochloride, 3-Aminobenzene-1,2-dicarboxylic acid hydrochloride, 3-amino phthalic acid hydrochloride, MFCD00150282, EINECS 230-106-4, NSC 56716, NSC 127008, Phthalic acid, 3-amino-, hydrochloride, 3-Aminophthalic acid, HCl, ACMC-1B7K3, ghl.PD_Mitscher_leg0.1315, SCHEMBL2285638, 3-AMINOPHTHALIC ACID HCL, DTXSID3064514, CTK2F5191, KS-00000MFT, ZBZAVEORKXFUQB-UHFFFAOYSA-N, AC1L3173, BCP13262, NSC56716, ANW-58545, NSC-56716, NSC127008, AKOS005217022, MCULE-1472462304, NSC-127008, AC-30415, AN-18126, CC-14226, DS-15972, SY008173, AX8006236, DB-022270, TC-147290, CS-0040845, FT-0615057, ST24041782, 3-Aminophthalic acid hydrochloride, AldrichCPR, 3-AMINOPHTHALIC ACID HYDROCHLORIDE, 98%, C-11828, I14-19524, 1,2-Benzenedicarboxylicacid, 3-amino-, hydrochloride (1:1), qvr bz fvq&&hcl[wln], C8H7NO4.ClH, C8-H7-N-O4.Cl-H, CID81375, AR-1L3008, ACN-048356, 3-Aminophthalic Acid Hydrochloride Dihydrate, 7149-91-9,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.014g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	217.605g/mol
Monoisotopic Mass	217.014g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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