AG003ME9

99-31-0 | 5-Aminoisophthalic Acid

AG003ME9

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CAS Number	99-31-0
Catalog Number	AG003ME9(AGN-PC-0JL7FD)
Chemical Name	5-Aminoisophthalic Acid
EC Number	202-748-5
IUPAC Name	5-aminobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H7NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key	KBZFDRWPMZESDI-UHFFFAOYSA-N
MDL Number	MFCD09037349
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	60141
SMILES	C(=O)(O)c1cc(C(=O)O)cc(c1)N
Synonyms	5-aminoisophthalic acid, 5-Aminoisophthalic acid, 99-31-0, 5-Aminobenzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylic acid, 5-amino-, 5-Amino-1,3-isophthalic acid, MFCD00002522, Isophthalic acid, 5-amino-, KBZFDRWPMZESDI-UHFFFAOYSA-N, 5-AMINO-1,3-BENZENEDICARBOXYLIC ACID, 5-Aminoisophthalic acid, 98%, 3,5-Dicarboxyaniline, 5-Amino isophthalic acid, NSC60141, EINECS 202-748-5, NSC 60141, 5-aminoisophtalic acid, 3,5-dicarboxy-aniline, PubChem20539, C8H7NO4 (anhydrous), 5 -aminoisophthalic acid, 5-amino-isophthalic acid, AC1Q1GOM, 5-Amino-m-phthalic acid, AC1Q51DQ, Oprea1_005424, KSC221M1J, 181.1455 (anhydrous), SCHEMBL223304, 5-Aminoisophthalic acid, 94%, AC1L269H, DTXSID7059193, HMS1775F17, STR06298, ZINC2504354, Isophthalic acid, 5-amino- (8CI), 5-Amino-1,3-benzendicarboxylic acid, 8050AF, ANW-40999, BBL013234, NSC-60141, SBB064267, STK429341, AKOS000119465, AC-8408, AN-8017, LS10058, MCULE-5109916752, RP24218, RTR-038652, TRA0012954, AC-12230, AJ-35973, AK-88715, BC200498, BP-13444, K781, SC-26439, AB1007784, TR-038652, A1290, FT-0620018, ST24023834, ST50308594, TL80090605, KS-00000273, S-8210, I01-4513, W-100042, 5-aminoisophthalsyre, 5-Aminoisophthalicacid, 2-Methylbenzyl cyanide, 1, 5-amino-, C8H7NO4, 5-AMinoisophthalic Acid Hydrate, 5-aminobenzene-1,3-dicarboxylate, C8-H7-N-O4, CID66833, 5-Aminoisophthalic acid, 95% 50g, AR-1G7206, 5-Aminoisophthalic acid, 98% - 100G 100g, 6319-07-9,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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

Lot Number