AG001LIE

14924-53-9 | Cyclobutanecarboxylic acid, ethyl ester

AG001LIE

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CAS Number	14924-53-9
Catalog Number	AG001LIE(AGN-PC-0JLV93)
Chemical Name	Cyclobutanecarboxylic acid, ethyl ester
EC Number	238-995-0
IUPAC Name	ethyl cyclobutanecarboxylate
InChI	InChI=1S/C7H12O2/c1-2-9-7(8)6-4-3-5-6/h6H,2-5H2,1H3
InChI Key	SMVBADCAMQOTOV-UHFFFAOYSA-N
MDL Number	MFCD00001321
Molecular Formula	C7H12O2
Molecular Weight	128.1690
NSC Number	125691
SMILES	O=C(C1CCC1)OCC
Synonyms	Ethyl cyclobutanecarboxylate, 14924-53-9, Cyclobutanecarboxylic acid, ethyl ester, Cyclobutanecarboxylic acid ethyl ester, SMVBADCAMQOTOV-UHFFFAOYSA-N, ethyl cyclobutanoate, EINECS 238-995-0, AI3-37703, ACMC-1C5RZ, AC1Q64JZ, ethyl cyclobutane carboxylate, SCHEMBL29427, ethyl 1-cyclobutanecarboxylate, AC1L380M, Jsp002825, CTK4C6096, ETHYLCYCLOBUTANECARBOXYLATE, DTXSID70164204, EBD3344, Ethyl cyclobutanecarboxylate, 99%, ZINC388097, ACN-S004311, CS-D1706, ANW-60978, MFCD00001321, NSC125691, SBB059126, Cyclobutanecarboxylicacid, ethyl ester, AKOS008948035, cyclobutane-carboxylic acid ethyl ester, MCULE-2074507123, NSC-125691, TRA0042485, KS-0000051D, AJ-20428, AS-30005, CJ-03115, SC-13147, AB0020022, DB-063791, TC-149723, AM20070593, CYCLOBUTANE-CARBOXYLIC ACID ETHYLESTER, E0931, FT-0652342, ST24030679, ST51044259, V0726, K-4742, 924E539, I14-1924, W-108089, C7H12O2, CID84700, AR-1I9687, C7-H12-O2, Ethyl cyclobutanecarboxylate, 98% - 25G 25g, 15145-14-9,

Complexity	106
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.084g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.171g/mol
Monoisotopic Mass	128.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 3272

Certificate of Analysis

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