AG008QST

74205-15-5 | 1-(3-Methoxyphenyl)cyclobutanecarbonitrile

AG008QST

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CAS Number	74205-15-5
Catalog Number	AG008QST(AGN-PC-022H68)
Chemical Name	1-(3-Methoxyphenyl)cyclobutanecarbonitrile
IUPAC Name	1-(3-methoxyphenyl)cyclobutane-1-carbonitrile
InChI	InChI=1S/C12H13NO/c1-14-11-5-2-4-10(8-11)12(9-13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3
InChI Key	MFGRIOOSDBSHEH-UHFFFAOYSA-N
MDL Number	MFCD09414740
Molecular Formula	C12H13NO
Molecular Weight	187.2377
SMILES	COC1=CC=CC(=C1)C1(CCC1)C#N
Synonyms	1-(3-Methoxyphenyl)cyclobutanecarbonitrile, 74205-15-5, 1-(3-methoxyphenyl)cyclobutane-1-carbonitrile, 1-cyano-1-(3-methoxyphenyl)cyclobutane, SCHEMBL7539835, CTK5D9531, KS-00003TCH, DTXSID00596256, MFGRIOOSDBSHEH-UHFFFAOYSA-N, 1528AC, MFCD09414740, SBB055062, ZINC40448099, AKOS010514203, MCULE-2018728662, NE29267, SY139477, TS-02637, AJ-102566, DB-027260, Cyclobutanecarbonitrile,1-(3-methoxyphenyl)-, FT-0756051, 1-(3-methoxyphenyl)-1-cyclobutanecarbonitrile, MFCD09414740 (95%), A838058, I14-17086, Z1398474238, C12H13NO, 1-(3-Methoxyphenyl)cyclobutanecarbonitrile, 95% - 1G 1g,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.1g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.242g/mol
Monoisotopic Mass	187.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H312+H332
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 3276

Certificate of Analysis

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