AG001DPL

1461-96-7 | 1,2-Cyclopentanedicarboxylic acid, (1R,2S)-rel-

AG001DPL

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CAS Number	1461-96-7
Catalog Number	AG001DPL(AGN-PC-0O3955)
Chemical Name	1,2-Cyclopentanedicarboxylic acid, (1R,2S)-rel-
IUPAC Name	(1R,2S)-cyclopentane-1,2-dicarboxylic acid
InChI	InChI=1S/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5+
InChI Key	ASJCSAKCMTWGAH-SYDPRGILSA-N
MDL Number	MFCD01311172
Molecular Formula	C7H10O4
Molecular Weight	158.1519
SMILES	O=C([C@H]1[C@@H](C(O)=O)CCC1)O
Synonyms	1461-96-7, cis-Cyclopentane-1,2-dicarboxylic acid, cis-1,2-cyclopentanedicarboxylic acid, (1r,2s)-cyclopentane-1,2-dicarboxylic acid, cis-1,2-cyclopentanedicarbo xylic acid, AC1LDYHM, AC1Q5QVG, SCHEMBL419838, CTK4C4859, ASJCSAKCMTWGAH-SYDPRGILSA-N, ZINC136659, FCH843207, MFCD01311172, AKOS006278148, AN-3390, cis-1, 2-cyclopentanedicarboxylic acid, RL01837, (cis)-cyclopentane-1,2-dicarboxylic acid, AJ-12312, AK115228, AS-30035, BBV-38279336, SC-47892, AB1008706, AX8121743, FT-0700048, ((1R,2S)-cyclopentane-1,2-dicarboxylic acid), rel-(1R,2S)-cyclopentane-1,2-dicarboxylic acid, 1,2-Cyclopentanedicarboxylic acid, (1R,2S)-rel-, 1,2-Cyclopentanedicarboxylicacid, (1R,2S)-rel-, I14-38104, (+/-)-cis-Cyclopentane-1,2-dicarboxylic acid >=97.0% (GC), ( inverted exclamation markA)-cis-Cyclopentane-1,2-dicarboxylic acid, (+/-)-cis-Cyclopentane-1,2-dicarboxylic acid, >=97.0% (GC), null, Maybridge1_002319, KST-1A1477, cyclopentane-1,2-dicarboxylic acid, AR-1A1172, CID727374, CIS-CYCLOPENTANE-1,2-DICARBOXYLICACID, trans-Cyclopentane-1,2-dicarboxylic acid, cis-Cyclopentane-1,2-dicarboxylic acid, 98% - 1G 1g, 14670-95-2, 1461-97-8,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	158.058g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	158.153g/mol
Monoisotopic Mass	158.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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