AG00IASA

610-09-3 | 1,2-Cyclohexanedicarboxylic acid, (1R,2S)-rel-

AG00IASA

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CAS Number	610-09-3
Catalog Number	AG00IASA(AGN-PC-0SYH30)
Chemical Name	1,2-Cyclohexanedicarboxylic acid, (1R,2S)-rel-
EC Number	445-870-6
IUPAC Name	(1R,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+
InChI Key	QSAWQNUELGIYBC-OLQVQODUSA-N
MDL Number	MFCD00064949
Molecular Formula	C8H12O4
Molecular Weight	172.1785
NSC Number	57637
SMILES	O=C([C@H]1[C@@H](C(O)=O)CCCC1)O
Synonyms	610-09-3, cis-1,2-Cyclohexanedicarboxylic acid, cis-Cyclohexane-1,2-dicarboxylic acid, cis-Hexahydrophthalic acid, (1R,2S)-cyclohexane-1,2-dicarboxylic acid, QSAWQNUELGIYBC-OLQVQODUSA-N, MFCD00064949, (1S,2R)-cyclohexane-1,2-dicarboxylic acid, 1,2-Cyclohexanedicarboxylic acid, (1R,2S)-rel-, AK116661, cis-1,2-cyclohexanedicarboxylicacid, AC1L6G5T, AC1Q5R3U, AC1Q71DM, KSC497O9D, SCHEMBL1805083, CTK3J7791, KS-00000JJN, cis-(+/-)-perhydrophthalic acid, ZINC122700, NSC57637, ANW-33649, NSC-57637, STL183284, AKOS015917415, FCH1120170, MCULE-9506589203, (R,R)-1,2-Cyclohexanedicarboxylic Acid, 1,2-Cyclohexanedicarboxylic acid, (Z)-, AJ-61659, AS-11780, BBV-39692535, AX8021756, Cyclohexane-1alpha,2alpha-dicarboxylic acid, DB-050498, RT-004003, FT-0605371, ST24024698, (1R-trans)-1,2-Cyclohexanedicarboxylic Acid, EN300-145704, M-2772, rel-(1R,2S)-cyclohexane-1,2-dicarboxylic acid, A833001, I14-9820, J-520149, cis-1,2-Cyclohexanedicarboxylic acid;cis-Hexahydrophthalic acid, cis-Hexahydrophthalicacid, 1, cis-, Hexahydroorthophthalic acid, C8H12O4, cyclohexane-1,2-dicarboxylic acid, 1,2-Cyclohexanedicarboxylic acid, cis-, AR-1I2365, c0458, CID245564, cis-Cyclohexane-1,2-dicarboxylicacid, ACN-031857, (1r,2r)-cyclohexane-1,2-dicarboxylic acid, cis-1,2-Cyclohexanedicarboxylic acid, 98% 25g, 1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel-, cis-1,2-Cyclohexanedicarboxylic acid, 98% - 100G 100g, 2305-32-0, 46022-05-3, 6642-27-9,

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
UN Code

Certificate of Analysis

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