AG00ABTM

185517-21-9 | (R)-2-Propyloctanoic acid

AG00ABTM

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CAS Number	185517-21-9
Catalog Number	AG00ABTM(AGN-PC-0O5F3N)
Chemical Name	(R)-2-Propyloctanoic acid
IUPAC Name	(2R)-2-propyloctanoic acid
InChI	InChI=1S/C11H22O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m1/s1
InChI Key	YCYMCMYLORLIJX-SNVBAGLBSA-N
MDL Number	MFCD08458423
Molecular Formula	C11H22O2
Molecular Weight	186.2912
SMILES	CCCCCC[C@H](C(O)=O)CCC
UNII	F2628ZD0FO
Synonyms	(R)-(-)-2-propyloctanoic acid, arundic acid, ONO-2506, ONO2506, Arundic acid, 185517-21-9, (2R)-2-Propyloctanoic acid, (R)-2-PROPYLOCTANOIC ACID, Cereact, Proglia, ONO 2506, ONO-2506, R-(-)-Arundic Acid, UNII-F2628ZD0FO, MK-0724, (R)-(-)-2-Propyloctanoic Acid, F2628ZD0FO, NCGC00183861-01, Acide arundique, Acido arzndico, Acidum arundicum, Arundic acid [INN], Arocyte, Acide arundique [INN-French], Acidum arundicum [INN-Latin], Arundic acid (JAN/INN), Acido arzndico [INN-Spanish], ONO-2506PO, MK 0724, AC1L4LMD, AC1Q5QIF, SCHEMBL4365, DSSTox_CID_28767, DSSTox_RID_83036, DSSTox_GSID_48841, ONO 2506PO, CHEMBL3187683, DTXSID5048841, CTK4D9037, YCYMCMYLORLIJX-SNVBAGLBSA-N, ZINC2509961, Tox21_113324, 9703AA, MFCD08458423, AKOS006289476, ACN-025477, API0007199, DB05343, (R)-2-propyloctanoic acid (abs stereo), AJ-36367, AX8047465, B7676, CAS-185517-21-9, FT-0662299, A12404, D06296, J-011902, Acido ar?ndico, 2-Propyloctanoic acid, Ono2506, D00GZW, D0I0VK, Acido arundico [INN-Spanish], Acido ar?ndico [INN-Spanish], KST-1A2706, C11H22O2, AR-1A2718, CID208925, C11-H22-O2, FR149175, 21447-39-2,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	186.162g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.295g/mol
Monoisotopic Mass	186.162g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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