AG002M0M

2305-30-8 | 1,3-Cyclohexanedicarboxylic acid, (1R,3R)-rel-

AG002M0M

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CAS Number	2305-30-8
Catalog Number	AG002M0M(AGN-PC-0QZJ8R)
Chemical Name	1,3-Cyclohexanedicarboxylic acid, (1R,3R)-rel-
IUPAC Name	(1R,3R)-cyclohexane-1,3-dicarboxylic acid
InChI	InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChI Key	XBZSBBLNHFMTEB-PHDIDXHHSA-N
MDL Number	MFCD01311241
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	O=C([C@H]1C[C@H](C(O)=O)CCC1)O
Synonyms	trans-Cyclohexane-1,3-dicarboxylic acid, 2305-30-8, 1,3-Cyclohexanedicarboxylic acid, (1R,3R)-rel-, (1R,3R)-cyclohexane-1,3-dicarboxylic acid, (1R,3R)-1,3-Cyclohexanedicarboxylic acid, AK164488, SCHEMBL35887, KS-00000QQM, ZINC389832, 21917-23-7, MFCD01311241, AKOS023558229, ACN-025045, DS-8610, FCH2493291, FCH3611285, 1,3-Cyclohexanedicarboxylic acid, trans-, AJ-20970, Cyclohexane-1beta,3alpha-dicarboxylic acid, CS-0047745, FT-0689760, Rel-(1R,3R)-1,3-cyclohexanedicarboxylic acid, trans-(+/-)-1,3-Cyclohexanedicarboxylic acid, UNII-8DAS52OH65 component XBZSBBLNHFMTEB-PHDIDXHHSA-N, UNII-OLM8U7S68A component XBZSBBLNHFMTEB-PHDIDXHHSA-N, UNII-OLM8U7S68A, OLM8U7S68A,

Complexity	179
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	0.7

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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