AG003TZ0

6750-04-5 | Prop-2-yn-1-yl benzoate

AG003TZ0

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CAS Number	6750-04-5
Catalog Number	AG003TZ0(AGN-PC-0OG5SF)
Chemical Name	Prop-2-yn-1-yl benzoate
IUPAC Name	prop-2-ynyl benzoate
InChI	InChI=1S/C10H8O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h1,3-7H,8H2
InChI Key	NBDHEMWCIUHARG-UHFFFAOYSA-N
MDL Number	MFCD00996341
Molecular Formula	C10H8O2
Molecular Weight	160.1693
NSC Number	349955
SMILES	O=C(OCC#C)C1=CC=CC=C1
Synonyms	Propargyl benzoate, Prop-2-yn-1-yl benzoate, 6750-04-5, prop-2-ynyl benzoate, NBDHEMWCIUHARG-UHFFFAOYSA-N, 2-Propynyl benzoate, Prop-2-yn-1-ylbenzoate, ACMC-20ajtj, 2-Propynyl benzoate #, AC1L7JBY, Propargyl benzoate, 98%, SCHEMBL576636, CTK5A7593, ZINC1581468, 0383AC, NSC349955, AKOS016009036, NSC-349955, AJ-27479, TC-165358, ST24025726, 57884-05-6, 2-Propyn-1-ol, benzoate, Benzoic acid propargyl ester, C10H8O2, CID336291, MFCD00996341,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.052g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.172g/mol
Monoisotopic Mass	160.052g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number