AG003TOG

621-87-4 | 1-Phenoxypropan-2-one

AG003TOG

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CAS Number	621-87-4
Catalog Number	AG003TOG(AGN-PC-0JL8Y0)
Chemical Name	1-Phenoxypropan-2-one
EC Number	210-712-5
IUPAC Name	1-phenoxypropan-2-one
InChI	InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key	QWAVNXZAQASOML-UHFFFAOYSA-N
MDL Number	MFCD00008767
Molecular Formula	C9H10O2
Molecular Weight	150.1745
NSC Number	1876
SMILES	CC(=O)COC1=CC=CC=C1
Synonyms	phenoxyacetone, Phenoxyacetone, 1-phenoxypropan-2-one, 621-87-4, 2-Propanone, 1-phenoxy-, 1-Phenoxy-2-propanone, 1-Phenoxyacetone, 1-phenoxy-propan-2-one, Phenoxy-2-propanone, Phenoxymethyl methyl ketone, NSC 1876, EINECS 210-712-5, AI3-10571, QWAVNXZAQASOML-UHFFFAOYSA-N, Phenoxyaceton, phenoxy acetone, PubChem20265, ACMC-1BHP1, 1-(phenoxy)propan-2-one, AC1L2BL5, AC1Q1K6H, SCHEMBL7746, Phenoxy-2-propanone, 97%, DTXSID3060740, CTK2F3511, QWAVNXZAQASOML-UHFFFAOYSA-, NSC1876, KS-000016KW, NSC-1876, ZINC1577069, ANW-34094, MFCD00008767, AKOS005207146, AS05273, CM11227, MCULE-8124389556, AJ-27367, CJ-24995, LS-123150, TC-122839, TL8004058, FT-0754073, P0112, ST24027151, ST50824210, X5334, I14-101670, InChI=1/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3, C9H10O2, CID69313, C9-H10-O2,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.068g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.177g/mol
Monoisotopic Mass	150.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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