AG003EM1

4187-87-5 | 1-Phenylprop-2-yn-1-ol

AG003EM1

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CAS Number	4187-87-5
Catalog Number	AG003EM1(AGN-PC-0WA4S1)
Chemical Name	1-Phenylprop-2-yn-1-ol
EC Number	224-064-6
IUPAC Name	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
InChI Key	UIGLAZDLBZDVBL-UHFFFAOYSA-N
MDL Number	MFCD00021860
Molecular Formula	C9H8O
Molecular Weight	132.1592
NSC Number	4326
SMILES	C(C#C)(O)c1ccccc1
Synonyms	1-Phenyl-2-propyn-1-ol, 4187-87-5, 1-Phenylprop-2-yn-1-ol, 1-Phenylpropargyl alcohol, Ethynylphenylcarbinol, Phenylethynylcarbinol, 2-Propyn-1-ol, 1-phenyl-, alpha-Ethynylbenzyl alcohol, Benzyl alcohol, .alpha.-ethynyl-, Benzenemethanol, .alpha.-ethynyl-, alpha-Ethynylbenzenemethanol, NSC 4326, alpha-Phenylpropargyl alcohol, 1-Phenyl-prop-2-yn-1-ol, EINECS 224-064-6, 1-Phenyl-2-propyne-1-ol, .alpha.-Ethynylbenzyl alcohol, AI3-24430, .alpha.-Phenylpropargyl alcohol, UIGLAZDLBZDVBL-UHFFFAOYSA-N, BENZYL ALCOHOL, alpha-ETHYNYL-, MFCD00021860, (+/-)-1-Phenyl-2-propyn-1-ol, 98+%, ACMC-20apft, Benzenemethanol, alpha-ethynyl- (9CI), ACMC-20apj4, AC1L2FO2, ACMC-1B59U, SCHEMBL77244, 3-hydroxy-3-phenyl-1-propyne, alpha-(Ethynyl)-benzenemethanol, Benzenemethanol, alpha-ethynyl-, CHEMBL2323854, CTK3J1471, KS-00000VQQ, NSC4326, 1-Phenyl-2-propyn-1-ol, 98%, ACT09707, NSC-4326, (+/-)-1-Phenyl-2-propyn-1-ol, 5771AB, ANW-29698, SBB008986, AKOS009157774, DS-6255, RTR-016493, TRA0010122, TRA0037315, TRA0042481, AK113293, BC218343, LS-42985, SC-52871, SY008625, SY008626, SY008627, AB1007309, TR-016493, FT-0608237, P0220, ST51024558, MFCD00021860 (98%), Z-4071, MFCD00210083 (97+%), MFCD00210084 (97+%), A825687, I01-5053, ( inverted exclamation markA)-|A-Ethynylbenzyl alcohol, ( inverted exclamation markA)-1-Phenyl-2-propyn-1-ol, F0001-1173, ( inverted exclamation markA)-3-Hydroxy-3-phenyl-1-propyne, ( inverted exclamation markA)-1-Phenyl-2-propyn-1-ol, 98+%, InChI=1/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10, ( inverted exclamation markA)-|A-Ethynylbenzyl alcohol; ( inverted exclamation markA)-3-Hydroxy-3-phenyl-1-propyne; 1-Phenylpropargyl alcohol, (R)-1-Phenyl-2-propyn-1-ol, (S)-1-Phenyl-2-propyn-1-ol, C9H8O, C9-H8-O, CID20155, 61317-73-5, 64599-56-0, 107-94-8, 144010-02-6,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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