AG00E94C

636-46-4 | 4-Hydroxyisophthalic acid

AG00E94C

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CAS Number	636-46-4
Catalog Number	AG00E94C(AGN-PC-0JKAMG)
Chemical Name	4-Hydroxyisophthalic acid
EC Number	211-258-0
IUPAC Name	4-hydroxybenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChI Key	BCEQKAQCUWUNML-UHFFFAOYSA-N
MDL Number	MFCD00010391
Molecular Formula	C8H6O5
Molecular Weight	182.1302
NSC Number	2445
SMILES	OC(=O)C1=CC(C(O)=O)=C(O)C=C1
UNII	P87FF77O00
Synonyms	4-HIPA, 4-hydroxy-iso-phthalate, 4-hydroxy-isophthalate, 4-hydroxyisophthalic acid, 4-Hydroxyisophthalic acid, 636-46-4, Eupirina, 4-Hydroxy-m-phthalic acid, 4-Hydroxybenzene-1,3-dicarboxylic acid, Isophthalic acid, 4-hydroxy-, 4-HIPA, NSC 2445, 4-HYDROXY-1,3-BENZENEDICARBOXYLIC ACID, UNII-P87FF77O00, 1,3-Benzenedicarboxylic acid, 4-hydroxy-, EINECS 211-258-0, 4-Hydroxy Isophthalic Acid, BRN 2211981, AI3-24050, P87FF77O00, 4-hydroxyisophthalate, 4-Hydroxy-1,3-benzenedecarboxylic acid, PubChem15046, AC1L1ZPI, 4-Hydroxyisophthalic acid;, 4-10-00-02091 (Beilstein Handbook Reference), SCHEMBL330378, Acetylsalicylic Acid Impurity B, ACMC-1B614, 4-Hydroxyisophthalic acid, 95%, CTK2F4767, NSC2445, BCEQKAQCUWUNML-UHFFFAOYSA-N, ZINC409242, 4-Hydroxy-1,3-benzenedicarboxylate, CS-M1087, KS-000010ZT, NSC-2445, ANW-34694, BBL103288, CH-191, KM0767, MFCD00010391, RW3414, SBB064147, STL557098, 4-Hydroxyisophthalic acid, AldrichCPR, AKOS000121471, MCULE-1659406510, QC-2201, VZ29218, 1,3-Benzenedicarboxylicacid, 4-hydroxy-, AC-28654, AJ-22694, AN-46994, AS-19417, BC206996, LS-85243, SC-43914, SY051837, AB0033939, DB-054516, RT-001695, TL8004451, FT-0084756, FT-0618715, ST50825180, X8014, MFCD00010391 (98%), A21110, C21168, 1,3-Benzenedicarboxylic acid, 4-hydroxy- (9CI), W-203364, Salicylic acid impurity B, European Pharmacopoeia (EP) Reference Standard, Salicylic acid Related Compound B, United States Pharmacopeia (USP) Reference Standard, 4-Hydroxyisophthalic acid (Salicylic Acid Related Compound B)(Salicylic Acid Impurity B), Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13, Aspirin Impurity B, 1, 4-hydroxy-, 4-Hydroxyisophthalicacid, 4-hydroxyisophtalic acid, 4-Hydroylisophthalic acid, C8H6O5, C8-H6-O5, CID12490, ACN-001513, CS-O-31086, H0257, 4-Hydroxyisophthalic acid, 98% - 25G 25g,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	182.131g/mol
Monoisotopic Mass	182.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number