AG003L9Q

4295-99-2 | 4-Cyanotetrahydro-4H-pyran

AG003L9Q

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CAS Number	4295-99-2
Catalog Number	AG003L9Q(AGN-PC-00GQS3)
Chemical Name	4-Cyanotetrahydro-4H-pyran
IUPAC Name	oxane-4-carbonitrile
InChI	InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChI Key	RLZJFTOYCVIYLE-UHFFFAOYSA-N
MDL Number	MFCD08690357
Molecular Formula	C6H9NO
Molecular Weight	111.1418
SMILES	C1C(CCOC1)C#N
Synonyms	4295-99-2, 4-Cyanotetrahydro-4H-pyran, tetrahydro-2H-pyran-4-carbonitrile, 4-Cyanotetrahydropyran, Oxane-4-carbonitrile, 2H-Pyran-4-carbonitrile, tetrahydro-, 2H-3,4,5,6-tetrahydropyran-4-carbonitrile, 4-Cyanotetrahydropiran, tetrahydro-2H-pyran-4- carbonitrile, SCHEMBL56272, KSC493C8L, tetrahydropyran-4-carbonitrile, Tetrahydro-pyran-4-carbonitrile, CTK3J3185, DTXSID30473405, RLZJFTOYCVIYLE-UHFFFAOYSA-N, ALBB-005332, BCP22257, tetrahydro-2 h-pyran-4-carbonitrile, AB2989, ANW-51121, BBL018006, MFCD08690357, QC-617, SBB019014, STK503355, ZINC14988372, AKOS005171531, CS-W019661, MCULE-2478534329, PB20297, RTR-016727, TRA0040773, KS-000002V6, AJ-66641, AK-35140, BR-35140, CJ-14889, SC-49321, SY021355, TS-01550, AB0024893, AB1008920, ST4147607, TR-016727, AM20100133, BB 0253746, FT-0652694, ST24032787, W6252, 2,3,5,6-tetrahydro-4H-pyran-4-carbonitrile, EN300-55625, C-1947, MFCD08690357 (97+%), 295T992, H112125, S14-1529, F8889-1242, C6H9NO, 2,1,3-benzothiadiazole-5-carbaldehyde, ACN-029679, CID11815837, A6967,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	111.144g/mol
Monoisotopic Mass	111.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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