AG001DS4

14618-78-1 | Butanenitrile, 4,4-dimethoxy-

AG001DS4

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CAS Number	14618-78-1
Catalog Number	AG001DS4(AGN-PC-0JLV5W)
Chemical Name	Butanenitrile, 4,4-dimethoxy-
EC Number	238-658-8
IUPAC Name	4,4-dimethoxybutanenitrile
InChI	InChI=1S/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H3
InChI Key	XJHNCGVHPLDMRK-UHFFFAOYSA-N
MDL Number	MFCD00019883
Molecular Formula	C6H11NO2
Molecular Weight	129.1570
SMILES	C(CCC#N)(OC)OC
Synonyms	14618-78-1, 4,4-Dimethoxybutanenitrile, 4,4-Dimethoxybutyronitrile, 3-Cyanopropionaldehyde dimethyl acetal, Butanenitrile, 4,4-dimethoxy-, 3-Cyano propionaldehyde dimethyl acetal, 3-CYANOPROPIONALDEHYDEDIMETHYLACETAL, Cyanopropionaldehyde dimethyl acetal, XJHNCGVHPLDMRK-UHFFFAOYSA-N, .beta.-Cyanopropionaldehyde dimethylacetal, AK-44411, EINECS 238-658-8, 4-dimeth-oxybutyronitrile, ACMC-1C7XT, AC1L37PV, AC1Q4S6M, 4,4'-Dimethoxybutyronitrile, KSC494I0F, 4,4-Dimethoxybutanenitrile #, SCHEMBL441892, DTXSID3065796, CTK3J4402, ACT09371, ZINC2163514, 3-Cyanopropionaldehyde dimethylacetal, ANW-20994, MFCD00019883, 3-cyano-propionaldehyde dimethylacetal, AKOS015851546, CS-W002123, DS-1556, FCH1115071, MCULE-7705574206, RTR-005791, A091, AJ-33729, AN-25073, BR-44411, CC-14898, CJ-07819, SC-20617, SY033063, AX8002941, TR-005791, 3-Cyanopropionaldehyde dimethyl acetal, 98%, 4CH-006189, FT-0637115, ST24032678, W3194, MFCD00019883 (98%), S-1754, C-01211, J-008201, S14-0842, InChI=1/C6H11NO2/c1-8-6(9-2)4-3-5-7/h6H,3-4H2,1-2H, 4,4-dimethoxy-butanenitril, C6H11NO2, C6-H11-N-O2, CID84558, AR-1F7879, c0891, ZINC02163514, ACN-025645, 4,4-Dimethoxybutyronitrile, 98% - 25ML 25ml, 14841-83-9,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	129.159g/mol
Monoisotopic Mass	129.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number