AG003B9T

33898-90-7 | 3-Oxo-3-(thiophen-2-yl)propanenitrile

AG003B9T

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CAS Number	33898-90-7
Catalog Number	AG003B9T(AGN-PC-0CBIS6)
Chemical Name	3-Oxo-3-(thiophen-2-yl)propanenitrile
IUPAC Name	3-oxo-3-thiophen-2-ylpropanenitrile
InChI	InChI=1S/C7H5NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
InChI Key	XWWUQBHVRILEPB-UHFFFAOYSA-N
MDL Number	MFCD00052586
Molecular Formula	C7H5NOS
Molecular Weight	151.1857
SMILES	O=C(CC#N)C1=CC=CS1
Synonyms	2-Thenoylacetonitrile, 33898-90-7, 3-oxo-3-(thiophen-2-yl)propanenitrile, 3-Oxo-3-(2-Thienyl)Propionitrile, 3-oxo-3-(2-thienyl)propanenitrile, XWWUQBHVRILEPB-UHFFFAOYSA-N, 2-(thiophene-2-carbonyl)acetonitrile, MFCD00052586, 3-Oxo-3-thiophen-2-yl-propionitrile, PubChem8372, CDS1_000515, Then-2-oylacetonitrile, ACMC-1CSFG, 2-thiophenoylacetonitrile, AC1L3JXT, AC1Q5GSN, Maybridge1_002803, DivK1c_001555, SCHEMBL137872, CHEMBL3251052, beta-oxo-2-thiophenepropionitrile, CTK3J0865, HMS549H09, KS-00000UJD, ZINC47508, DTXSID50187517, ACT07995, 2-(thiophen-2-carbonyl)acetonitrile, 3-oxo-3-thiophen-2-ylpropanenitrile, CCG-46079, GEO-02075, SBB005814, STK779326, AKOS000206401, 3-oxo-3-(thiophen-2-yl)propionitrile, GS-5548, MCULE-6543831572, PB12059, QC-7333, TRA0012967, VZ25206, AJ-09052, SC-92811, ZB001417, 3-Oxo-3-(2-thienyl)propionitrile, 97%, 3-(2-THIENYL)-3-OXOPROPANENITRILE, AB0048623, DB-021533, RT-001286, ST4113191, FT-0604164, ST24042399, Z2423, Q-1025, SR-01000635801-1, W-200310, Z56979371, F3308-4036, A3700/0156935, C7H5NOS, CID141853, ACN-050671, 2-Thenoylacetonitrile, 98% - 1G 1g, A6004,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.009g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	151.183g/mol
Monoisotopic Mass	151.009g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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