AG00DA8I

4378-23-8 | 1-Phenylbut-3-yn-2-ol

AG00DA8I

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CAS Number	4378-23-8
Catalog Number	AG00DA8I(AGN-PC-0RRYYV)
Chemical Name	1-Phenylbut-3-yn-2-ol
IUPAC Name	1-phenylbut-3-yn-2-ol
InChI	InChI=1S/C10H10O/c1-2-10(11)8-9-6-4-3-5-7-9/h1,3-7,10-11H,8H2
InChI Key	OCGGBKUCKYBJSC-UHFFFAOYSA-N
MDL Number	MFCD09032697
Molecular Formula	C10H10O
Molecular Weight	146.1858
SMILES	C#CC(O)CC1=CC=CC=C1
Synonyms	1-phenylbut-3-yn-2-ol, 4378-23-8, 1-Phenyl-but-3-yn-2-ol, phenylmethylethynylcarbinol, 1-Phenyl-3-butyn-2-ol, Benzeneethanol, a-ethynyl-, SCHEMBL134502, Benzeneethanol, alpha-ethynyl-, CTK4I7731, DTXSID00468505, MFCD09032697, AKOS006240231, NE46893, AK140234, CID11557314,

Complexity	148
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	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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