AG003CJZ

64599-56-0 | (S)-1-phenylprop-2-yn-1-ol

AG003CJZ

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CAS Number	64599-56-0
Catalog Number	AG003CJZ(AGN-PC-0TD66M)
Chemical Name	(S)-1-phenylprop-2-yn-1-ol
IUPAC Name	(1S)-1-phenylprop-2-yn-1-ol
InChI	InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m0/s1
InChI Key	UIGLAZDLBZDVBL-VIFPVBQESA-N
MDL Number	MFCD00210084
Molecular Formula	C9H8O
Molecular Weight	132.1592
SMILES	C#C[C@@H](C1=CC=CC=C1)O
Synonyms	(S)-1-Phenyl-2-propyn-1-ol, 64599-56-0, (S)-1-Phenylprop-2-yn-1-ol, (1S)-1-phenylprop-2-yn-1-ol, AC1OE5QA, SCHEMBL235417, (S)-|A-Ethynylbenzyl alcohol, 3-hydroxy-3-phenyl-prop-1-yne, CTK5B3036, (S)-1-Phenyl-2-propyne-1-ol, KS-000008XB, ZINC2038031, 4836AJ, KM0867, MFCD00210084, AKOS022183151, AJ-33099, AS-31842, CJ-07559, CJ-32114, DB-073516, TC-172640, FT-0771550, (S)-1-Phenyl-2-propyn-1-ol, >=99.0% (sum of enantiomers, GC), 1-Phenylpropargyl alcohol, 1-Phenyl-2-propyn-1-ol, C9H8O, -1-PHENYL-2-PROPYN-1-OL, CID6999870, 61317-73-5, 4187-87-5,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	132.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	132.162g/mol
Monoisotopic Mass	132.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2810

Certificate of Analysis

Lot Number