AG0079BA

385383-45-9 | 2-(4-Formylphenoxy)acetonitrile

AG0079BA

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CAS Number	385383-45-9
Catalog Number	AG0079BA(AGN-PC-0KKQ7O)
Chemical Name	2-(4-Formylphenoxy)acetonitrile
IUPAC Name	2-(4-formylphenoxy)acetonitrile
InChI	InChI=1S/C9H7NO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,6H2
InChI Key	RHOUEVUVWQOUMH-UHFFFAOYSA-N
MDL Number	MFCD02629373
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	N#CCOC1=CC=C(C=O)C=C1
Synonyms	2-(4-formylphenoxy)acetonitrile, 385383-45-9, (4-formylphenoxy)acetonitrile, 2-(4-formylphenoxy)ethanenitrile, formylphenoxyacetonitrile, AC1MC9R5, AC1Q6PU7, SCHEMBL2263155, CTK4I0135, DTXSID90377430, Acetonitrile, (4-formylphenoxy)-, RHOUEVUVWQOUMH-UHFFFAOYSA-N, ALBB-024407, KS-000020RG, ZINC2597445, 2187AE, BBL034344, MFCD02629373, SBB071901, STL386672, AKOS000202333, MCULE-2289559340, RP10224, RTR-015552, AJ-43730, TR-015552, FT-0680660, R5998, ST45027169, EN300-13041, 8R-0303, J-506008, C9H7NO2, 2-(4-Formylphenoxy)-acetonitrile, ZINC02597445, CID2764404, 10031-82-0,

Complexity	186
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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