AG001X8X

16728-00-0 | Cyclopropanecarbonitrile, 1-(4-methoxyphenyl)-

AG001X8X

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CAS Number	16728-00-0
Catalog Number	AG001X8X(AGN-PC-0JLVS6)
Chemical Name	Cyclopropanecarbonitrile, 1-(4-methoxyphenyl)-
EC Number	240-786-4
IUPAC Name	1-(4-methoxyphenyl)cyclopropane-1-carbonitrile
InChI	InChI=1S/C11H11NO/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11/h2-5H,6-7H2,1H3
InChI Key	OIQRGAQXQLASRC-UHFFFAOYSA-N
MDL Number	MFCD00019212
Molecular Formula	C11H11NO
Molecular Weight	173.2111
NSC Number	155169
SMILES	COC1=CC=C(C=C1)C1(CC1)C#N
Synonyms	1-(4-methoxyphenyl)cyclopropanecarbonitrile, 16728-00-0, 1-(4-Methoxyphenyl)cyclopropane-1-carbonitrile, CYCLOPROPANECARBONITRILE, 1-(4-METHOXYPHENYL)-, 1-(4-Methoxy-phenyl)cyclopropanecarbonitrile, 1-(4-methoxy-phenyl)-cyclopropanecarbonitrile, 1-(4-methoxyphenyl)-1-cyclopropanecarbonitrile, EINECS 240-786-4, NSC155169, AC1Q4RMB, AC1L39RC, 4-(1-Cyanocyclopropyl)anisole, SCHEMBL1018321, CTK4D2601, KS-00000ZHC, DTXSID70168262, OIQRGAQXQLASRC-UHFFFAOYSA-N, ZINC394732, ALBB-005936, 8524AA, ANW-54564, MFCD00019212, STK503633, AKOS000266535, AB01255, AM85276, MCULE-4646856733, NSC-155169, TRA0034189, AJ-21422, TS-02373, ZB012422, AB0079867, DB-043687, ST2403216, TR-007241, 4CH-018867, BB 0254805, CS-0046217, FT-0637408, R1376, Cyclopropanecarbonitrile,1-(4-methoxyphenyl)-, 1-(4-methoxyphenyl)-cyclopropane-1-carbonitrile, A810844, 1-(4-METHOXYPHENYL)CYCLOPROPANE CARBONITRILE, 1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile, 96%, I14-29022, C11H11NO, KST-1B0935, C11-H11-N-O, CID85574, AR-1B2207, ACN-046642, 17044-70-1,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.084g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.215g/mol
Monoisotopic Mass	173.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332
Packing Group	Ⅲ
Precautionary statements	P280
Signal Words	warning
UN Code	UN 3276

Certificate of Analysis

Lot Number