AG001PHU

15753-50-1 | 1,2-Cyclohexanedimethanol, (1R,2S)-rel-

AG001PHU

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CAS Number	15753-50-1
Catalog Number	AG001PHU(AGN-PC-0Q7AN1)
Chemical Name	1,2-Cyclohexanedimethanol, (1R,2S)-rel-
EC Number	239-843-6
IUPAC Name	[(1S,2R)-2-(hydroxymethyl)cyclohexyl]methanol
InChI	InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8+
InChI Key	XDODWINGEHBYRT-OCAPTIKFSA-N
MDL Number	MFCD00062987
Molecular Formula	C8H16O2
Molecular Weight	144.2114
SMILES	[C@@H]1([C@H](CCCC1)CO)CO
Synonyms	cis-1,2-Cyclohexanedimethanol, 15753-50-1, cis-Cyclohexane-1,2-diyldimethanol, 1,2-Cyclohexanedimethanol, (1R,2S)-rel-, XDODWINGEHBYRT-OCAPTIKFSA-N, 25712-33-8, trans-1,2-Cyclohexanedimethanol, (1S,2S)-1,2-CyclohexanediMethanol, cis-1,2-Bis(hydroxymethyl)cyclohexane, SCHEMBL129425, AC1MC439, cis-1,2-cyclohexane-dimethanol, Cis-1,2-cyclohexane dimethanol, CTK4C9388, KS-00002AWO, 1,2-Cyclohexanedimethanol, cis-, 1alpha,2alpha-Cyclohexanedimethanol, KS-000001RQ, ANW-21698, MFCD00062987, ZINC16137764, cis-1,2-Cyclohexanedimethanol, 97%, AKOS015915800, FCH3467190, (1R,2S)-cyclohexane-1,2-diyldimethanol, AJ-68466, AK129072, 1,2-Cyclohexanedimethanol,(1R,2S)-rel-, AX8121474, TC-110443, FT-0690197, (1R,?2S)?-?rel-1,?2-Cyclohexanedimethano?l, [(1S,2R)-2-(hydroxymethyl)cyclohexyl]methanol, J-009421, I14-52872, (1R,2R)-1,2-Cyclohexanedimethanol, EINECS 239-843-6, C8-H16-O2, NSC401686, CID2724019, trans-1,2-Bis(hydroxymethyl)cyclohexane, 65376-05-8, 3205-34-3,

Complexity	81.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	144.115g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	144.214g/mol
Monoisotopic Mass	144.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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