AG003MSO

618-83-7 | 5-Hydroxyisophthalic acid

AG003MSO

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CAS Number	618-83-7
Catalog Number	AG003MSO(AGN-PC-0JL8WR)
Chemical Name	5-Hydroxyisophthalic acid
EC Number	210-565-7
IUPAC Name	5-hydroxybenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
InChI Key	QNVNLUSHGRBCLO-UHFFFAOYSA-N
MDL Number	MFCD00002515
Molecular Formula	C8H6O5
Molecular Weight	182.1302
NSC Number	302088
SMILES	C1=C(C=C(C=C1C(O)=O)O)C(O)=O
UNII	95UD7B188K
Synonyms	5-hydroxyisophthalic acid, 5-Hydroxyisophthalic acid, 618-83-7, 5-Oxyisophthalic acid, 5-hydroxybenzene-1,3-dicarboxylic acid, Isophthalic acid, 5-hydroxy-, 1,3-Benzenedicarboxylic acid, 5-hydroxy-, 5-Hydoxyisophthalic acid, 5-Hydroxy-Isophthalic Acid, 5-Hydroxy-1,3-benzenedicarboxylic acid, 5-Hydroxyisosphthalic acid, EINECS 210-565-7, MFCD00002515, NSC 302088, BRN 2693561, UNII-95UD7B188K, QNVNLUSHGRBCLO-UHFFFAOYSA-N, 95UD7B188K, Isophthalic acid, 5-hydroxy- (6CI,7CI,8CI), 5-Hydroxyisophthalic acid, 99%, 5-Hydroxyisophthalicacid, AC1L2BGY, AC1Q5TNF, 5-HIPA, ACMC-209mx5, EC 210-565-7, 4-10-00-02098 (Beilstein Handbook Reference), KSC352Q3L, SCHEMBL139644, DTXSID1060687, 5-Hydroxyisophthalic acid, 97%, CTK2F2835, KS-00000CIG, QNVNLUSHGRBCLO-UHFFFAOYSA-, ZINC409374, EBD41555, STR02376, ANW-33975, NSC302088, SBB056561, AKOS000120371, CS-W017132, MCULE-5412822699, NSC-302088, RP24300, RTR-021281, TRA0033570, 1,3-Benzenedicarboxylicacid, 5-hydroxy-, AC-11758, AJ-22758, AK-47313, AN-46638, BC203423, BR-47313, LS-29776, SC-46579, SY006430, TL8003969, TR-021281, AM20060693, FT-0620489, ST24033025, ST50307230, M-4961, 5-Hydroxy-1,3-benzenedicarboxylic acid; 5-HIPA, MFCD00002515 (97+%), I01-0577, W-105086, InChI=1/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13), 1, 5-hydroxy-, C8H6O5, C8-H6-O5, CID69257, AR-1G8536, ACN-001515, H0794, 5-Hydroxyisophthalic acid, 99% - 100G 100g, 106635-81-8, 6305-38-0,

Complexity	203
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	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

Lot Number