AG003M9Y

31518-13-5 | 3,4-dihydro-2H-pyran-6-carbonitrile

AG003M9Y

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CAS Number	31518-13-5
Catalog Number	AG003M9Y(AGN-PC-0NIBL2)
Chemical Name	3,4-dihydro-2H-pyran-6-carbonitrile
IUPAC Name	3,4-dihydro-2H-pyran-6-carbonitrile
InChI	InChI=1S/C6H7NO/c7-5-6-3-1-2-4-8-6/h3H,1-2,4H2
InChI Key	DPQCEBXGFGVSAB-UHFFFAOYSA-N
MDL Number	MFCD08437233
Molecular Formula	C6H7NO
Molecular Weight	109.1259
SMILES	N#CC1=CCCCO1
Synonyms	31518-13-5, 5,6-Dihydro-4H-pyran-2-carbonitrile, 3,4-dihydro-2H-pyran-6-carbonitrile, 2H-Pyran-6-carbonitrile, 3,4-dihydro-, 2-Cyano-4,5-dihydropyran, SCHEMBL8546228, Jsp005878, SCHEMBL10968316, CTK4G7267, KS-00000EDY, DTXSID50483541, 6287AJ, MFCD08437233, RW3929, ZINC26897037, AKOS006288647, AKOS025243493, CS-W001852, TRA0024336, 2H-Pyran-6-carbonitrile,3,4-dihydro-, AJ-83099, AK-78862, AN-13402, CJ-17619, DS-17517, SC-27536, SY003576, AB0060979, DB-018112, TC-307815, FT-0752096, D60038, K-7439, MFCD08437233 (97+%), I14-17511, C6H7NO, 21190-87-4,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	109.053g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	109.128g/mol
Monoisotopic Mass	109.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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