AG003V9U

1852-04-6 | Undecanedioic acid

AG003V9U

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CAS Number	1852-04-6
Catalog Number	AG003V9U(AGN-PC-0JKCIS)
Chemical Name	Undecanedioic acid
EC Number	217-440-6
IUPAC Name	undecanedioic acid
InChI	InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
InChI Key	LWBHHRRTOZQPDM-UHFFFAOYSA-N
MDL Number	MFCD00004444
Molecular Formula	C11H20O4
Molecular Weight	216.2741
NSC Number	400241
SMILES	OC(=O)CCCCCCCCCC(O)=O
UNII	7059GFK8NV
Synonyms	UNDECANEDIOIC ACID, 1852-04-6, 1,9-Nonanedicarboxylic acid, 1,9-Nonanedicarboxylicacid, Undecanedionic acid, 1,11-Undecanedioic acid, Hendecanedioic acid, UNII-7059GFK8NV, Nonamethylenedicarboxylic Acid, 7059GFK8NV, CHEBI:73713, LWBHHRRTOZQPDM-UHFFFAOYSA-N, Undecanedioate, NSC400241, AK-96038, W-109719, Undecandioic acid; 1,11-Undecanedioic acid, Hendecanedioate, Undecanedionate, Undecandioic acid, EINECS 217-440-6, undecandisäure, NSC 400241, 1,11-Undecanedioate, PubChem18095, ACMC-209emp, 1,9-Nonanedicarboxylate, Undecanedioic acid, 97%, bmse000847, bmse000880, EC 217-440-6, AC1L26OR, DSSTox_CID_24862, DSSTox_RID_80539, DSSTox_GSID_44862, SCHEMBL28401, KSC182E4B, CHEMBL3183300, DTXSID0044862, CTK0I2240, ZINC1593115, ZX-AT007114, Tox21_300954, ANW-23231, LMFA01170007, MFCD00004444, SBB069138, AKOS015919038, CS-W014841, HY-W014125, NSC-400241, OR16665, RTR-008555, TRA0062608, NCGC00248227-01, NCGC00254856-01, AJ-27746, AN-22189, AS-14889, CAS-1852-04-6, 1,9-NONAMETHYLENE DICARBOXYLIC ACID, AX8055228, TR-008555, FT-0656248, N0333, K-5589, Undecanedioic acid, puriss., >=99.0% (GC), 852U046, C-33834, S04-0158, C11H20O4, CID15816, Undecanedioic acid, 97% - 1G 1g, C11-H20-O4, N008, 108-90-7, 250159-48-9,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.136g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	216.277g/mol
Monoisotopic Mass	216.136g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

Lot Number