AG00EC7E

57543-71-2 | 6-Methoxy-2H-chromene-3-carbonitrile

AG00EC7E

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CAS Number	57543-71-2
Catalog Number	AG00EC7E(AGN-PC-0JKSPS)
Chemical Name	6-Methoxy-2H-chromene-3-carbonitrile
IUPAC Name	6-methoxy-2H-chromene-3-carbonitrile
InChI	InChI=1S/C11H9NO2/c1-13-10-2-3-11-9(5-10)4-8(6-12)7-14-11/h2-5H,7H2,1H3
InChI Key	QFFAZOPNBVZSGX-UHFFFAOYSA-N
MDL Number	MFCD00202032
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	N#CC(CO1)=CC2=C1C=CC(OC)=C2
Synonyms	6-methoxy-2H-chromene-3-carbonitrile, 57543-71-2, 6-Methoxy-2H-1-benzopyran-3-carbonitrile, BRN 1370658, 2H-1-BENZOPYRAN-3-CARBONITRILE, 6-METHOXY-, Bionet2_000290, AC1L27TV, Oprea1_669973, SCHEMBL545307, CTK5A7045, KS-00001WEK, DTXSID10206172, QFFAZOPNBVZSGX-UHFFFAOYSA-N, HMS1364N04, ZINC169007, 6-methoxy-2h-3-chromenecarbonitrile, 5913AE, MFCD00202032, SBB090570, AKOS005070299, 4G-403S, AB04726, MCULE-7021407552, RP11115, AJ-17036, LS-39021, ZB009030, 2H-1-Benzopyran-3-carbonitrile,6-methoxy-, TR-020088, FT-0680356, Z-4866, A831495, J-518837, I14-29095, C11H9NO2, C11-H9-N-O2, CID42440, 5-18-07-00360 (Beilstein Handbook Reference),

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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