AG002XGV

2914-69-4 | 3-Butyn-2-ol, (2S)- (9CI)

AG002XGV

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CAS Number	2914-69-4
Catalog Number	AG002XGV(AGN-PC-0O8ND9)
Chemical Name	3-Butyn-2-ol, (2S)- (9CI)
IUPAC Name	(2S)-but-3-yn-2-ol
InChI	InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m0/s1
InChI Key	GKPOMITUDGXOSB-BYPYZUCNSA-N
MDL Number	MFCD00190166
Molecular Formula	C4H6O
Molecular Weight	70.0898
SMILES	C[C@@H](C#C)O
Synonyms	(S)-(-)-3-Butyn-2-ol, 2914-69-4, (S)-3-butyn-2-ol, (2S)-but-3-yn-2-ol, (S)-but-3-yn-2-ol, 3-Butyn-2-ol, (2S)-, (S)-(-)-1-Butyn-3-ol, MFCD00190166, (S)-(-)-3-Butyn-2-ol, 95%, 98% ee, (2S)-3-butyn-2-ol, AC1ODY12, CTK1A7355, DTXSID70274170, GKPOMITUDGXOSB-BYPYZUCNSA-N, (3R)-(+)-3-Hydroxybut-1-yne, ZINC1756137, ZX-AT016054, ANW-26551, AKOS005256320, AKOS015904178, 3-Butyn-2-ol, (2S)- (9CI), CL-0055, FCH1120175, OR40593, (S)-(-)-3-Butyn-2-ol, 97%, CJ-07030, CJ-29679, SC-47963, AB0112138, AB1003519, DB-047531, TR-012738, B2910, FT-0605323, X-4347, 914B694, J-017406, I14-16523, (S)-(-)-3-Butyn-2-ol, purum, >=98.0% (GC), null, - -3-Butyn-2-ol, 1-Methylpropargyl alcohol, (S)-(+)-3-Butyn-2-ol, CS-CU-00011, ACN-046439, CID6995470, C3236, (S)-(-)-3-Butyn-2-ol, 97% - 1G 1g, 42969-65-3,

Complexity	57.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	70.042g/mol
Formal Charge	0
Heavy Atom Count	5
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	70.091g/mol
Monoisotopic Mass	70.042g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(3)
Hazard statements	H226-H300-H310-H315-H317-H319-H330
Packing Group	Ⅱ
Precautionary statements	P260-P264-P280-P284-P301+P310-P302+P350
UN Code	UN 2929

Certificate of Analysis

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