AG003JN5

60838-50-8 | 3-Methoxyacrylonitrile

AG003JN5

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CAS Number	60838-50-8
Catalog Number	AG003JN5(AGN-PC-0KJZZK)
Chemical Name	3-Methoxyacrylonitrile
IUPAC Name	(E)-3-methoxyprop-2-enenitrile
InChI	InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3/b4-2+
InChI Key	IPCRTSDORDQHRO-DUXPYHPUSA-N
MDL Number	MFCD00044798
Molecular Formula	C4H5NO
Molecular Weight	83.0886
SMILES	COC=CC#N
Synonyms	3-Methoxyacrylonitrile, 60838-50-8, (E)-3-methoxyacrylonitrile, (E)-3-methoxyprop-2-enenitrile, 3-Methoxy-2-Propenenitrile, 69194-03-2, (E)-3-methoxy-2-propenenitrile, (2E)-3-methoxyprop-2-enenitrile, 3-Methoxyacrylonitrile, mixture of isomers, 3-Methoxyacrylonitrile mixture of cis andtrans, trans-3-methoxyacrylonitrile, 3-methoxyprop-2-enenitrile, 2-Propenenitrile,3-methoxy-, AC1NT5J0, AC1Q41FO, IPCRTSDORDQHRO-DUXPYHPUSA-N, ZINC2584614, MFCD00044798, SBB068430, AKOS009158154, NE11010, AN-39382, P738, SC-89864, TC-169542, A832917, I14-6694, InChI=1/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3/b4-2, C4H5NO, ZINC02584614, CID5324713, 3-Methoxyacrylonitrile mixture of isomers,

Complexity	87
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	83.037g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	83.09g/mol
Monoisotopic Mass	83.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H312-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number