AG00G9K2

851895-20-0 | (4-Ethynylphenyl)(morpholino)methanone

AG00G9K2

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CAS Number	851895-20-0
Catalog Number	AG00G9K2(AGN-PC-0C0UWN)
Chemical Name	(4-Ethynylphenyl)(morpholino)methanone
IUPAC Name	(4-ethynylphenyl)-morpholin-4-ylmethanone
InChI	InChI=1S/C13H13NO2/c1-2-11-3-5-12(6-4-11)13(15)14-7-9-16-10-8-14/h1,3-6H,7-10H2
InChI Key	YQKWBFZGLGMZCT-UHFFFAOYSA-N
MDL Number	MFCD23161834
Molecular Formula	C13H13NO2
Molecular Weight	215.2478
SMILES	O=C(C1=CC=C(C#C)C=C1)N2CCOCC2
Synonyms	(4-Ethynylphenyl)(morpholino)methanone, 851895-20-0, (4-ethynyl-phenyl)-morpholin-4-yl-methanone, SCHEMBL166200, YQKWBFZGLGMZCT-UHFFFAOYSA-N, MFCD23161834, ZINC98179575, AKOS022190029, DS-9277, AK150681, SY096681, (4-Ethynylphenyl)-morpholin-4-yl-methanone, AJ-140682, MFCD23161834 (95%),

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.095g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.252g/mol
Monoisotopic Mass	215.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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