AG002F08

19102-07-9 | 1,4-Benzodioxin-6-carbonitrile, 2,3-dihydro-

AG002F08

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CAS Number	19102-07-9
Catalog Number	AG002F08(AGN-PC-0KLBSE)
Chemical Name	1,4-Benzodioxin-6-carbonitrile, 2,3-dihydro-
IUPAC Name	2,3-dihydro-1,4-benzodioxine-6-carbonitrile
InChI	InChI=1S/C9H7NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4H2
InChI Key	JGSRMKGBXNXODT-UHFFFAOYSA-N
MDL Number	MFCD00221462
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	N#CC1=CC2=C(OCCO2)C=C1
Synonyms	19102-07-9, 2,3-dihydro-1,4-benzodioxine-6-carbonitrile, 2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonitrile, 3,4-ethylenedioxybenzonitrile, 1,4-Benzodioxane-6-carbonitrile, 1,4-Benzodioxin-6-carbonitrile, 2,3-dihydro-, JGSRMKGBXNXODT-UHFFFAOYSA-N, 1,4-Benzodioxin-6-carbonitrile,2,3-dihydro-, 2,3-Dihydro-benzo[1,4]dioxine-6-carbonitrile, MFCD00221462, 2H,3H-benzo[e]1,4-dioxane-6-carbonitrile, AC1MCVBP, AC1Q4R4H, SCHEMBL943860, CTK4E0560, DTXSID30384249, ZINC4289517, ANW-58731, SBB019218, STK695187, AKOS005606548, ACN-039626, MCULE-7591600197, PS-4707, RP02167, 6-Cyano-2,3-dihydro-1,4-benzodioxin, KS-00002A96, NCGC00340567-01, AJ-50283, BL007795, SC-42557, 2,3-dihydro-1,4-benzodioxin-6-yl cyanide, AB0040496, DB-065732, ST4147457, TC-069540, FT-0082767, FT-0609636, Y8107, EN300-73369, K-5695, AB01333761-02, W-206409, I14-12510, I14-12952, Z1259341112, C9H7NO2, ZINC04289517, CID2801439, QC-3611, 2,3-dihydrobenzo[b][1,4]dioxine-6-carbonitrile, 95% - 1G 1g,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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