AG003DAM

6286-43-7 | 1,2,3-Cyclohexanetriol

AG003DAM

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CAS Number	6286-43-7
Catalog Number	AG003DAM(AGN-PC-00KIIX)
Chemical Name	1,2,3-Cyclohexanetriol
IUPAC Name	cyclohexane-1,2,3-triol
InChI	InChI=1S/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2
InChI Key	IZSANPWSFUSNMY-UHFFFAOYSA-N
MDL Number	MFCD00060111
Molecular Formula	C6H12O3
Molecular Weight	132.1577
SMILES	OC1C(O)C(O)CCC1
Synonyms	1,2,3-Cyclohexanetriol, 6286-43-7, Pyrogallitol, cyclohexane-1,2,3-triol, Hexahydropyrogallol, NSC10070, 1,3-Cyclohexanetriol, ACMC-20ap7a, AC1Q7AKJ, SCHEMBL133069, AC1L5C74, SCHEMBL19910793, IZSANPWSFUSNMY-UHFFFAOYSA-, IZSANPWSFUSNMY-UHFFFAOYSA-N, 1,2,3-Cyclohexanetriol(cis+trans), MFCD00060111, NSC-10070, NSC143556, FCH1117093, NSC-143556, VZ20355, CC-02752, DB-054310, TC-172333, FT-0636068, C-01408, I14-92463, 1,2,3-CYCLOHEXANETRIOL (CIS- AND TRANS- MIXTURE), InChI=1/C6H12O3/c7-4-2-1-3-5(8)6(4)9/h4-9H,1-3H2, KST-1B7648, AR-1B5238, c1132, CID222962, 1,2,3-Cyclohexanetriol (cis+trans), 69479-26-1,

Complexity	84.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	132.159g/mol
Monoisotopic Mass	132.079g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number