AG003BIW

21963-41-7 | (1S,2S)-Cyclohexane-1,2-dicarboxylic acid

AG003BIW

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CAS Number	21963-41-7
Catalog Number	AG003BIW(AGN-PC-0O7X7M)
Chemical Name	(1S,2S)-Cyclohexane-1,2-dicarboxylic acid
IUPAC Name	(1S,2S)-cyclohexane-1,2-dicarboxylic acid
InChI	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m0/s1
InChI Key	QSAWQNUELGIYBC-WDSKDSINSA-N
MDL Number	MFCD00151258
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C([C@@H]1[C@@H](C(O)=O)CCCC1)O
Synonyms	21963-41-7, (1S,2S)-cyclohexane-1,2-dicarboxylic acid, (1S,2S)-1,2-Cyclohexanedicarboxylic Acid, trans-1,2-Cyclohexanedicarboxylic acid, MFCD00151258, 1,2-Cyclohexanedicarboxylic acid, trans-, 1,2-Cyclohexanedicarboxylic acid, (1S,2S)-, trans-Hexahydrophthalic acid, MFCD00001464, AK130313, 1,2-Cyclohexanedicarboxylicacid, (1S,2S)-, PubChem19269, AC1L2OI0, AC1Q5QV0, AC1Q71DD, SCHEMBL150816, CTK1A1742, KS-00000LBG, QSAWQNUELGIYBC-WDSKDSINSA-N, ZINC3861148, ZX-RL005760, EINECS 218-975-8, ANW-24643, AKOS015833093, CC-2221, CS-W017609, DS-6642, FCH1120191, 1alpha,2beta-Cyclohexanedicarboxylic acid, (1S,2S)-1,2-Cyclohexanedicarboxylicacid, AC-25529, AJ-46135, OR307141, 1,2-Cyclohexanedicarboxylicacid,(1S,2S)-, AB0032746, AI3-18155, AX8043834, TR-010300, C1954, FT-0660471, ST24033641, X6150, trans-1,2-Cyclohexanedicarboxylic acid, 95%, (1S,2S)-(+)-1,2-Cyclohexanedicarboxylic acid, trans-(1s,2s)-1,2-cyclohexanedicarboxylic acid, (1S,2S)-(+)-CYCLOHEXANEDICARBOXYLIC ACID, J-014375, I14-93515, (1S,2S)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID, Hexahydroorthophthalic acid, C8H12O4, trans-Cyclohexane-1,2-dicarboxylic acid, KST-1B2008, CID75315, AR-1B5652, ACN-026809, -1,2-CYCLOHEXANEDICARBOXYLICACID, (1R,2R)-1,2-Cyclohexanedicarboxylic Acid, 2305-32-0, 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-, 1,2-Cyclohexanedicarboxylic acid, trans-(.+.)-, 236-02-2,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number