AG00IDQT

856945-68-1 | 4-oxooxolane-3-carbonitrile

AG00IDQT

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CAS Number	856945-68-1
Catalog Number	AG00IDQT(AGN-PC-0WALCR)
Chemical Name	4-oxooxolane-3-carbonitrile
IUPAC Name	4-oxooxolane-3-carbonitrile
InChI	InChI=1S/C5H5NO2/c6-1-4-2-8-3-5(4)7/h4H,2-3H2
InChI Key	WSRDUDNWEFKOHH-UHFFFAOYSA-N
MDL Number	MFCD23106450
Molecular Formula	C5H5NO2
Molecular Weight	111.0987
SMILES	C(#N)C1C(=O)COC1
Synonyms	4-oxotetrahydrofuran-3-carbonitrile, 856945-68-1, 4-oxooxolane-3-carbonitrile, 3-Furancarbonitrile, tetrahydro-4-oxo-, SCHEMBL13192142, WSRDUDNWEFKOHH-UHFFFAOYSA-N, KS-000005NR, MFCD23106450, Tetrahydro-4-oxo-3-furancarbonitrile, 3-Furancarbonitrile,tetrahydro-4-oxo-, FCH2311340, PB39082, SB13249, AK173879, AS-51891, CS-0050786,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.032g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.1g/mol
Monoisotopic Mass	111.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number