AG003DV0

71310-21-9 | 11-Mercaptoundecanoic acid

AG003DV0

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CAS Number	71310-21-9
Catalog Number	AG003DV0(AGN-PC-0JSMMZ)
Chemical Name	11-Mercaptoundecanoic acid
IUPAC Name	11-sulfanylundecanoic acid
InChI	InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)
InChI Key	GWOLZNVIRIHJHB-UHFFFAOYSA-N
MDL Number	MFCD00022096
Molecular Formula	C11H22O2S
Molecular Weight	218.3562
SMILES	O=C(O)CCCCCCCCCCS
Synonyms	11-mercaptoundecanoic acid, 11-Mercaptoundecanoic acid, 71310-21-9, 11-Sulfanylundecanoic acid, Undecanoic acid, 11-mercapto-, Undecanoic acid,11-mercapto-, GWOLZNVIRIHJHB-UHFFFAOYSA-N, ACMC-20aoze, AC1LBWAV, 11-mercaptoundecanoicacid, 11-Sulfanylundecanoic acid #, SCHEMBL111144, CTK5D3833, KS-00000VDO, DTXSID00337585, 11-Mercaptoundecanoic acid, 95%, 11-Mercaptoundecanoic acid, 98%, ZINC2164257, MFCD00022096, STL323763, AKOS015893928, DB08171, GS-6888, MCULE-9528951895, TRA0081043, DB-008035, TX-015889, FT-0698883, C-1056, I04-8669, (4-Bromo-3-fluorophenyl)hydrazine, CID543502, 11-Mercaptoundecanoic acid, 95% - 1G 1g, MDX,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.134g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.355g/mol
Monoisotopic Mass	218.134g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

Lot Number