AG003P3S

3019-25-8 | Cyclobutyl Methyl Ketone

AG003P3S

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CAS Number	3019-25-8
Catalog Number	AG003P3S(AGN-PC-0JLQ05)
Chemical Name	Cyclobutyl Methyl Ketone
EC Number	221-163-6
IUPAC Name	1-cyclobutylethanone
InChI	InChI=1S/C6H10O/c1-5(7)6-3-2-4-6/h6H,2-4H2,1H3
InChI Key	JPJOOTWNILDNAW-UHFFFAOYSA-N
MDL Number	MFCD00037148
Molecular Formula	C6H10O
Molecular Weight	98.1430
SMILES	C(=O)(C)C1CCC1
Synonyms	Cyclobutyl methyl ketone, 3019-25-8, 1-Cyclobutylethanone, 1-Cyclobutylethan-1-one, Acetylcyclobutane, Ethanone, 1-cyclobutyl-, Ketone, cyclobutyl methyl, Methyl cyclobutyl ketone, JPJOOTWNILDNAW-UHFFFAOYSA-N, MFCD00037148, Cyclobutylmethylketone, Acetylcyclobutan, Cyclobutylethanone, EINECS 221-163-6, Cyclobutane, acetyl-, 1-cyclobutyl-ethanone, 1-Cyclobutylethanone #, ACMC-209hdp, AC1L2QTQ, AC1Q5CBZ, AC1Q1K18, Cyclobutyl methyl ketone, 98%, CTK1C4085, DTXSID50184263, ZINC2384765, 9513AD, ANW-26795, GEO-00006, AKOS005257570, NE26321, QC-1533, RTC-010683, WT82269, SC-74316, DB-068244, TC-010683, FT-0624158, J-017824, I14-17024, F0001-0928, cyclobutylmethyl ketone, C6H10O, C6-H10-O, CID76398, AR-1C2510, c1034, ZINC02384765, A5563, 31186-12-6,

Complexity	82.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.073g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	98.145g/mol
Monoisotopic Mass	98.073g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338
UN Code	UN 1224

Certificate of Analysis

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