AG002M0N

2305-26-2 | 4-Cyclohexene-1,2-dicarboxylic acid, (1R,2S)-rel-

AG002M0N

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CAS Number	2305-26-2
Catalog Number	AG002M0N(AGN-PC-0QZJ6C)
Chemical Name	4-Cyclohexene-1,2-dicarboxylic acid, (1R,2S)-rel-
EC Number	218-974-2
IUPAC Name	(1S,2R)-cyclohex-4-ene-1,2-dicarboxylic acid
InChI	InChI=1S/C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-2,5-6H,3-4H2,(H,9,10)(H,11,12)/t5-,6+
InChI Key	ILUAAIDVFMVTAU-OLQVQODUSA-N
MDL Number	MFCD00070482
Molecular Formula	C8H10O4
Molecular Weight	170.1626
SMILES	O=C([C@H]1[C@@H](C(O)=O)CC=CC1)O
UNII	8D02S2924W
Synonyms	2305-26-2, cis-4-Cyclohexene-1,2-dicarboxylic acid, (1R,2S)-rel-Cyclohex-4-ene-1,2-dicarboxylic acid, (1R,2S)-cyclohex-4-ene-1,2-dicarboxylic acid, UNII-8D02S2924W, 4-Cyclohexene-1,2-dicarboxylic acid, cis-, cis-delta4-Tetrahydrophthalic acid, cis-1,2,3,6-tetrahydrophthalic acid, 4-Cyclohexene-1,2-dicarboxylic acid, (1R,2S)-rel-, MFCD00070482, 8D02S2924W, rel-(1R,2S)-Cyclohex-4-ene-1,2-dicarboxylic acid, (1R,2S)-rel-4-Cyclohexene-1,2-dicarboxylic acid, cis-.DELTA.4-Tetrahydrophthalic acid, AK-47632, EINECS 218-974-2, NSC 402223, cis-.DELTA.4-Cyclohexene-1,2-dicarboxylic acid, cis-Cyclohex-4-ene-1,2-dicarboxylic acid, AI3-23867, AC1L9YRW, KSC489O9J, SCHEMBL174303, CTK3I9794, KS-00000CPB, ILUAAIDVFMVTAU-OLQVQODUSA-N, ZINC4015306, ANW-25022, AKOS015833076, AC-8835, CS-W013232, FCH1120490, RTR-010773, 4-Cyclohexene-1,2-dicarboxylic acid #, cis-4-Cyclohexene-1,2-dicarboxylicAcid, AJ-47691, BBV-39693047, BR-47632, DS-14422, cis-4-cyclohexene-1,2-dicar-boxylic acid, AX8121661, DB-050491, TR-010773, ST24032019, W4685, 4-Cyclohexene-1alpha,2alpha-dicarboxylic acid, EN300-59225, M-6301, A816528, I14-9807, J-520148, UNII-VHJ20M7WJ5 component ILUAAIDVFMVTAU-OLQVQODUSA-N, TETRAHYDROPHTHALIC ACID, C8H10O4, c0492, C8-H10-O4, CID504243, cyclohex-4-ene-1,2-dicarboxylic acid, ACN-031858, cis-4-Cyclohexene-1,2-dicarboxylic acid, 98% 25g, cis-4-Cyclohexene-1,2-dicarboxylic acid, 98% - 100G 100g,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	170.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	170.164g/mol
Monoisotopic Mass	170.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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