AG00375Y

505-54-4 | Hexadecanedioic acid

AG00375Y

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CAS Number	505-54-4
Catalog Number	AG00375Y(AGN-PC-0BIRYJ)
Chemical Name	Hexadecanedioic acid
EC Number	208-013-5
IUPAC Name	hexadecanedioic acid
InChI	InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChI Key	QQHJDPROMQRDLA-UHFFFAOYSA-N
MDL Number	MFCD00002746
Molecular Formula	C16H30O4
Molecular Weight	286.4070
NSC Number	15164
SMILES	OC(=O)CCCCCCCCCCCCCCC(=O)O
UNII	SVZ90045Y2
Synonyms	hexadecanedioic acid, HEXADECANEDIOIC ACID, 505-54-4, Thapsic acid, 1,14-Tetradecanedicarboxylic acid, 1,16-Hexadecanedioic acid, Hexadecane-1,16-dioic acid, Dicarboxylic acid C16, UNII-SVZ90045Y2, QQHJDPROMQRDLA-UHFFFAOYSA-N, SVZ90045Y2, n-Tetradecane-.omega.,.omega.'-dicarboxylic acid, NSC15164, AK-40025, 1,16-hexadecanedioate, Thapsate, Hexadecandioic acid, 1,14-tetradecane dicarboxylic acid, EINECS 208-013-5, NSC 15164, HEXADECANEDIOIC, n-Tetradecane-omega,omega'-dicarboxylic acid, ACMC-1AM9Z, a,w-Tetradecanedicarboxylate, AC1L1V8S, AC1Q75FK, Hexadecanedioic acid, 96%, SCHEMBL36069, KSC270E4L, 1,14-Tetradecanedicarboxylate, MEGxp0_000578, a,w-Tetradecanedicarboxylic acid, DTXSID2060129, CHEBI:73722, CTK1H0245, n-Tetradecane-w,w'-dicarboxylate, BCP25937, KS-000000GX, ZINC3861298, ANW-31047, LMFA01170022, MFCD00002746, n-Tetradecane-w,w'-dicarboxylic acid, NSC-15164, SBB067243, AKOS015839798, CS-W018947, HY-W018161, RTR-018058, AJ-46164, AN-45412, AS-11659, SY047592, AX8016512, TR-018058, AM20100234, FT-0601008, ST24030755, Hexadecanedioic acid, purum, >=98.0% (GC), MFCD00002746 (97%), C19615, M-4530, 505H544, C-18047, I14-2333, hexadecanedioate, HEXADECANEDIOICACID, C16H30O4, CID10459, Hexadecanedioic acid, 97% - 1G 1g, C16-H30-O4, H0293,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.214g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	286.412g/mol
Monoisotopic Mass	286.214g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number