AG007L19

28246-87-9 | Ethyl 1-cyanocyclobutanecarboxylate

AG007L19

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CAS Number	28246-87-9
Catalog Number	AG007L19(AGN-PC-0JP1PA)
Chemical Name	Ethyl 1-cyanocyclobutanecarboxylate
IUPAC Name	ethyl 1-cyanocyclobutane-1-carboxylate
InChI	InChI=1S/C8H11NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-5H2,1H3
InChI Key	VPAQDMAYKQBDLT-UHFFFAOYSA-N
MDL Number	MFCD04114273
Molecular Formula	C8H11NO2
Molecular Weight	153.1784
NSC Number	122101
SMILES	CCOC(=O)C1(CCC1)C#N
Synonyms	ethyl 1-cyanocyclobutanecarboxylate, 28246-87-9, ethyl 1-cyanocyclobutane-1-carboxylate, 1-Cyanocyclobutanecarboxylic acid ethyl ester, 1-CYANO-CYCLOBUTANECARBOXYLIC ACID ETHYL ESTER, Cyclobutanecarboxylic acid, 1-cyano-, ethyl ester, 1-cyano-1-cyclobutanecarboxylic acid ethyl ester, NSC122101, AC1L5HFZ, AC1Q4QYW, SCHEMBL2879833, CTK4G1079, DTXSID00298268, VPAQDMAYKQBDLT-UHFFFAOYSA-N, KS-00003T2V, ZINC1711185, ANW-63752, MFCD04114273, AKOS006230295, MCULE-7649606453, NSC-122101, AJ-30761, AK-68745, CJ-29000, TS-02039, DB-081685, TC-152497, FT-0728127, Z-5472, Cyclobutanecarboxylicacid, 1-cyano-, ethyl ester, I14-16929, Z1235879599, AR-1I7926, CID275343, 1-CYANOCYCLOBUTANECARBOXYLICACIDETHYLESTER, 28455-56-3,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.181g/mol
Monoisotopic Mass	153.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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