AG003JO1

110-67-8 | 3-Methoxypropanenitrile

AG003JO1

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CAS Number	110-67-8
Catalog Number	AG003JO1(AGN-PC-0JL48I)
Chemical Name	3-Methoxypropanenitrile
EC Number	203-790-7
IUPAC Name	3-methoxypropanenitrile
InChI	InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3
InChI Key	OOWFYDWAMOKVSF-UHFFFAOYSA-N
MDL Number	MFCD00001958
Molecular Formula	C4H7NO
Molecular Weight	85.1045
SMILES	COCCC#N
Synonyms	3-Methoxypropionitrile, 3-Methoxypropanenitrile, 110-67-8, PROPANENITRILE, 3-METHOXY-, 2-Cyanoethyl methyl ether, 3-Methoxypropylnitrile, beta-Methoxypropionitrile, 1-Cyano-2-methoxyethane, Propionitrile, 3-methoxy-, 3-Methoxypropannitril, 3-Methoxypropiononitrile, beta-Methyoxypropionitrile, NSC 4090, Methyl beta-cyanoethyl ether, 3-Methoxypropannitril [Czech], 3-methoxy-propionitril, beta-Methoxypropionitril [German], EINECS 203-790-7, MFCD00001958, .beta.-Methoxypropionitrile, .beta.-Methyoxypropionitrile, BRN 1739284, AI3-25449, OOWFYDWAMOKVSF-UHFFFAOYSA-N, WLN: NC2O1, 3-Methoxypropionitrile, 98%, beta-Methoxypropionitril, 2-cyanoethylmethylether, 3-methoxy-propanenitril, beta-methoxy-propinitrile, 1-Methoxy-2-cyanoethane, ACMC-1BU1Q, DSSTox_CID_6851, AC1L1UE9, AC1Q4FM8, AC1Q4FM9, DSSTox_RID_78228, DSSTox_GSID_26851, KSC176M6P, Methyl .beta.-cyanoethyl ether, Jsp000812, CHEMBL3560782, DTXSID3026851, CTK0H6667, NSC4090, Propionitrile, 3-methoxy- (8CI), ACT06300, NSC-4090, NSC61486, ZINC1672997, Tox21_200210, ANW-16179, NSC-61486, STL164366, AKOS000158680, LS-2085, LS40792, MCULE-3009737584, RP18430, RTR-002180, NCGC00248563-01, NCGC00257764-01, AJ-29295, AK-46138, AN-43018, BC202023, CAS-110-67-8, CJ-06156, CJ-27233, 3-Methoxypropionitrile, >=98.0% (GC), DB-040933, ST2410767, TR-002180, CS-0030563, FT-0616016, M0653, X8955, EN300-40828, M-5912, 25817-EP2309584A1, 25817-EP2315303A1, I14-0245, Q-101215, F0020-1831, InChI=1/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H, Z277467992, n-Amyl mercaptan, 3-methoxy propionitrile, 1-Cyan-2-methoxyethan, C4H7NO, Propanonitrilo, 3-metoxi-, C4-H7-N-O, PROPANONITRILE, 3-METHOXY-, CID61032, A2185, 4-03-00-00708 (Beilstein Handbook Reference), 3-Methoxypropionitrile, 98% - 100ML 100ml, 33695-59-9, 696-99-1,

Complexity	61.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	85.053g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	85.106g/mol
Monoisotopic Mass	85.053g/mol
Rotatable Bond Count	2
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 Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number