AG000WIO

127-66-2 | Benzenemethanol, α-​ethynyl-​α-​methyl-

AG000WIO

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CAS Number	127-66-2
Catalog Number	AG000WIO(AGN-PC-0PILLZ)
Chemical Name	Benzenemethanol, α-​ethynyl-​α-​methyl-
EC Number	204-855-2
IUPAC Name	2-phenylbut-3-yn-2-ol
InChI	InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3
InChI Key	KSLSOBUAIFEGLT-UHFFFAOYSA-N
MDL Number	MFCD00004454
Molecular Formula	C10H10O
Molecular Weight	146.1858
NSC Number	4329
SMILES	C(C#C)(C)(O)c1ccccc1
Synonyms	2-Phenyl-3-butyn-2-ol, 2-Phenylbut-3-yn-2-ol, 127-66-2, Methylphenylethynylcarbinol, 3-Hydroxy-3-phenyl-1-butyne, 3-Butyn-2-ol, 2-phenyl-, NSC 4329, 3-Phenyl-butin-1-ol-(3), Benzenemethanol, alpha-ethynyl-alpha-methyl-, EINECS 204-855-2, Benzenemethanol, .alpha.-ethynyl-.alpha.-methyl-, 3-Phenyl-butin-1-ol-(3) [German], alpha-Ethynyl-alpha-methylbenzyl alcohol, BRN 1100096, alpha-Ethynyl-alpha-methylbenzenemethanol, AI3-24433, Benzyl alcohol, alpha-ethynyl-alpha-methyl-, KSLSOBUAIFEGLT-UHFFFAOYSA-N, ETHYNYL METHYL PHENYL CARBINOL, MFCD00004454, AK305661, .alpha.-Ethynyl-.alpha.-methylbenzenemethanol, Benzyl alcohol, .alpha.-ethynyl-.alpha.-methyl-, J-650382, 2-Phenyl-3-butyn-2-ol, 98%, NSC4329, PubChem21780, AC1L3NEV, 2-Pheny-3-butyn-2-ol, ACMC-1C2VN, 2-phenyl-3-butyne-2-ol, 4-06-00-04073 (Beilstein Handbook Reference), SCHEMBL127044, 2-Phenyl-2-hydroxy-3-butyne, ()-2-Phenyl-3-butyn-2-o, DTXSID7021990, CTK3J5185, KSLSOBUAIFEGLT-UHFFFAOYSA-, TIMTEC-BB SBB008971, ACT08085, KS-00000KB3, NSC-4329, ZERO/001339, Benzenemethanol, a-ethynyl-a-methyl-, DL-2-PHENYL-3-BUTYN-2-OL, SBB008971, STK523244, 2-Phenyl-3-butyn-2-ol, >=98%, AKOS005454373, AS01594, FCH3409263, MCULE-9589560272, RTR-003954, AN-23005, CC-11806, DS-12169, LS-47509, ST091685, SY015926, (+/-)-2-PHENYL-3-BUTYN-2-OL, BB0295929, TR-003954, .alpha.-Ethynyl-.alpha.-methylbenzyl alcohol, FT-0622156, X7093, MFCD00004454 (98%), C-33840, I01-5047, ( inverted exclamation markA)-2-Phenyl-3-butyn-2-ol, InChI=1/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3, UNII-4TR9Q57OTG, 4TR9Q57OTG, C10H10O, CID92098, C10-H10-O, Benzenemethanol, ?-ethynyl-?-methyl-,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.073g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.189g/mol
Monoisotopic Mass	146.073g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number