AG002RR8

26118-19-4 | 1,3-Dioxolane-2-acetonitrile

AG002RR8

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CAS Number	26118-19-4
Catalog Number	AG002RR8(AGN-PC-03ZF5E)
Chemical Name	1,3-Dioxolane-2-acetonitrile
IUPAC Name	2-(1,3-dioxolan-2-yl)acetonitrile
InChI	InChI=1S/C5H7NO2/c6-2-1-5-7-3-4-8-5/h5H,1,3-4H2
InChI Key	PSGGISCDILSVMS-UHFFFAOYSA-N
MDL Number	MFCD11110642
Molecular Formula	C5H7NO2
Molecular Weight	113.1146
SMILES	N#CCC1OCCO1
Synonyms	(1,3-Dioxolan-2-yl)acetonitrile, 26118-19-4, 2-(1,3-dioxolan-2-yl)acetonitrile, 2-(Cyanomethyl)-1,3-dioxolane, ACMC-1CL44, SCHEMBL1935876, CTK4F7099, DTXSID80631154, ANW-25885, MFCD11110642, ZINC44075531, AKOS015855738, FCH1123083, 2-([1,3]dioxolan-2-yl)-acetonitrile, TR-036291, D3727, EN300-216130,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	113.116g/mol
Monoisotopic Mass	113.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319
Packing Group	Ⅲ
Precautionary statements	P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
UN Code	UN 3276

Certificate of Analysis

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