AG00327Y

7735-42-4 | 1,16-Hexadecanediol

AG00327Y

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CAS Number	7735-42-4
Catalog Number	AG00327Y(AGN-PC-0JLTQ7)
Chemical Name	1,16-Hexadecanediol
EC Number	231-794-9
IUPAC Name	hexadecane-1,16-diol
InChI	InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
InChI Key	GJBXIPOYHVMPQJ-UHFFFAOYSA-N
MDL Number	MFCD00002821
Molecular Formula	C16H34O2
Molecular Weight	258.4400
SMILES	OCCCCCCCCCCCCCCCCO
Synonyms	1,16-Hexadecanediol, 7735-42-4, Hexadecane-1,16-diol, 1,16-Dihydroxyhexadecane, 1,16-Hexydecanediol, Hexadecamethylene glycol, GJBXIPOYHVMPQJ-UHFFFAOYSA-N, 23079-20-1, EINECS 231-794-9, 1,16 Hexadecandiol, 1,16-hexadecane-diol, ACMC-1BLJV, AC1Q7CQI, AC1Q7CQJ, AC1L32WJ, KSC205A7B, SCHEMBL318857, 1,16-Hexadecanediol, 97%, CHEMBL448715, QSPL 082, DTXSID7064788, CTK1A5070, ZINC4521552, ANW-37008, MFCD00002821, SBB071703, AKOS015856534, MCULE-4723598157, RTX-010639, KS-000011A6, CC-02607, CJ-12098, SC-83136, Urea, compounded with 1,16-hexadecanediol, FT-0606055, ST45026847, 735H424, C-33633, I14-46468, KST-1B8760, C16H34O2, CID82184, AR-1B4334, ZINC04521552, C16-H34-O2, H0552, 81818-54-4,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.256g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	258.446g/mol
Monoisotopic Mass	258.256g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number