AG008SLD

118431-89-3 | 3-Cyclobutyl-3-oxo-propionitrile

AG008SLD

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CAS Number	118431-89-3
Catalog Number	AG008SLD(AGN-PC-0PBYME)
Chemical Name	3-Cyclobutyl-3-oxo-propionitrile
IUPAC Name	3-cyclobutyl-3-oxopropanenitrile
InChI	InChI=1S/C7H9NO/c8-5-4-7(9)6-2-1-3-6/h6H,1-4H2
InChI Key	BAJYSJUMDLMTGH-UHFFFAOYSA-N
MDL Number	MFCD07787182
Molecular Formula	C7H9NO
Molecular Weight	123.1525
SMILES	O=C(CC#N)C1CCC1
Synonyms	3-cyclobutyl-3-oxopropanenitrile, 118431-89-3, 3-CYCLOBUTYL-3-OXO-PROPIONITRILE, AC1Q5GSS, SCHEMBL239077, 3-cyclobutyl-3-oxopropionitrile, beta-Oxocyclobutanepropanenitrile, CTK7C9399, DTXSID50551370, BAJYSJUMDLMTGH-UHFFFAOYSA-N, 3-Cyclobutyl-3-oxo-propanenitrile, 3-(Cyclobutyl)-3-oxopropionitrile, beta-Cyclobutyl-beta-oxopropionitrile, 2989AA, ANW-67100, MFCD07787182, ZINC34939696, AKOS009236566, MCULE-4586248106, PB22087, RP09149, AJ-90449, AS-42147, AB0081841, CYCLOBUTANEPROPANENITRILE, BETA-OXO-, DB-012805, TC-155845, CS-0045542, FT-0684767, EN300-60977, KS-00000362, Q-1157, J-512366, C7H9NO, |A-Oxo-cyclobutanepropanenitrile,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	123.155g/mol
Monoisotopic Mass	123.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2810

Certificate of Analysis

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