AG000NOL

125418-83-9 | Acetonitrile, 2-(2-formylphenoxy)-

AG000NOL

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CAS Number	125418-83-9
Catalog Number	AG000NOL(AGN-PC-0L17KQ)
Chemical Name	Acetonitrile, 2-(2-formylphenoxy)-
IUPAC Name	2-(2-formylphenoxy)acetonitrile
InChI	InChI=1S/C9H7NO2/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4,7H,6H2
InChI Key	YHZIVCGNCKDLCF-UHFFFAOYSA-N
MDL Number	MFCD01157218
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	N#CCOC1=CC=CC=C1C=O
Synonyms	(2-formylphenoxy)acetonitrile, 2-(2-formylphenoxy)acetonitrile, 125418-83-9, Acetonitrile, 2-(2-formylphenoxy)-, 2-(2-formylphenoxy)ethanenitrile, AC1MYXE9, AC1Q6PVG, 2-Formylphenoxyacetonitrile, Oprea1_375213, (2-formylphenyl)oxyacetonitrile, SCHEMBL5307057, CTK4B4365, DTXSID40397547, Acetonitrile, (2-formylphenoxy)-, YHZIVCGNCKDLCF-UHFFFAOYSA-N, ALBB-026069, ZINC2767029, BBL023025, MFCD01157218, SBB020122, STK271060, AKOS000117040, MCULE-7863978100, AJ-44203, (2-Formylphenoxy)acetonitrile, AldrichCPR, AB0076449, RT-005350, ST4125999, EN300-07738, W-8066, J-005227, A3997/0170350, ZINC02767029, CID3863749,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number