AG003CLX

32556-71-1 | (S)-3-Hydroxy-1-octyne

AG003CLX

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CAS Number	32556-71-1
Catalog Number	AG003CLX(AGN-PC-0O8XHT)
Chemical Name	(S)-3-Hydroxy-1-octyne
IUPAC Name	(3S)-oct-1-yn-3-ol
InChI	InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-/m1/s1
InChI Key	VUGRNZHKYVHZSN-MRVPVSSYSA-N
MDL Number	MFCD00191475
Molecular Formula	C8H14O
Molecular Weight	126.1962
SMILES	C#C[C@@H](O)CCCCC
UNII	D8HO63XX92
Synonyms	32556-71-1, (S)-1-Octyn-3-ol, (S)-(-)-1-Octyn-3-ol, 1-Octyn-3-ol, (3S)-, (S)-3-Hydroxy-1-octyne, (s)-oct-1-yn-3-ol, (3S)-1-octyn-3-ol, UNII-D8HO63XX92, (3S)-oct-1-yn-3-ol, D8HO63XX92, MFCD00191475, (3s)-hydroxy-1-octyne, (-)-1-Octyn-3-ol, 1-Octyn-3-ol, (S)-, 1-Octyn-3-ol, (-)-, (S)(-)-1-Octyn-3-ol, 1-Octyn-3-ol, (S)-(-)-, AC1MC1CU, SCHEMBL766022, CTK1C1982, VUGRNZHKYVHZSN-MRVPVSSYSA-N, ZINC2030988, 4835AJ, AKOS015913385, FCH1120354, KS-0000092P, (S)-(-)-1-Octyn-3-ol, 99%, AJ-32903, AK208798, AS-35719, CJ-31720, ACM32556711|1, DB-068651, TR-013672, FT-0605195, O0235, J-018782, I14-45581, UNII-DG52FEN1K1 component VUGRNZHKYVHZSN-MRVPVSSYSA-N, (S)-1-Octyn-3-ol [omega Side-Chain Unit for PG Synthesis], 3-Fluoropropene, 1-Octyne-3-ol, 1-OCTYN-3-OL, C8H14O, CID2734534, 818-72-4,

Complexity	98.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H332
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 2810

Certificate of Analysis

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