AG00DBIC

54166-15-3 | 3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester

AG00DBIC

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CAS Number	54166-15-3
Catalog Number	AG00DBIC(AGN-PC-0NKEM9)
Chemical Name	3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester
IUPAC Name	diethyl 3-phenylmethoxycyclobutane-1,1-dicarboxylate
InChI	InChI=1S/C17H22O5/c1-3-20-15(18)17(16(19)21-4-2)10-14(11-17)22-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChI Key	OSQKNXLJUGYQHW-UHFFFAOYSA-N
MDL Number	MFCD07700259
Molecular Formula	C17H22O5
Molecular Weight	306.3536
SMILES	C1=CC=CC=C1COC2CC(C2)(C(=O)OCC)C(=O)OCC
Synonyms	54166-15-3, Diethyl 3-(benzyloxy)cyclobutane-1,1-dicarboxylate, 3-Benzyloxycyclobutane-1,1-dicarboxylic acid diethyl ester, 1,1-DIETHYL 3-(BENZYLOXY)CYCLOBUTANE-1,1-DICARBOXYLATE, 3-Benzyloxy cyclobutane-1,1-dicarboxylic acid diethyl ester, diethyl 3-benzyloxycyclobutane-1,1-dicarboxylate, 1,1-Cyclobutanedicarboxylic acid, 3-(phenylmethoxy)-, diethyl ester, PubChem19705, SCHEMBL871442, CTK4J9862, DTXSID60510559, OSQKNXLJUGYQHW-UHFFFAOYSA-N, ANW-59759, MFCD07700259, ZINC19721397, AKOS000282892, ACN-036320, CD-1840, MCULE-9392337652, PB14493, RL04008, KS-000008D0, AC-28797, AJ-74370, AK-38067, AN-40632, AS-34909, OR317137, SC-28458, SY016635, 1-Benzyloxy-3,3-bis-carbethoxy-cyclobutane, AB0102236, AX8034024, DB-013363, TC-148504, CS-0052770, ST24046548, UX00004682, MFCD07700259 (95%), Q-1461, 166B153, A830005, diethyl 3-benzyloxycyclobutane-1, 1-dicarboxylate, diethyl3-(benzyloxy)cyclobutane-1,1-dicarboxylate, diethyl 3-phenylmethoxycyclobutane-1,1-dicarboxylate, J-511765, I14-17044, 3-Benzyloxy-cyclobutane-1,1-dicarboxylic acid diethyl ester, DIETHYL 3-(BENZYLOXY)-1,1-CYCLOBUTANEDICARBOXYLATE, 3-(Benzyloxy)cyclobutane-1,1-dicarboxylic acid diethyl ester, 3-phenylmethoxycyclobutane-1,1-dicarboxylic acid diethyl ester, 3-(Phenylmethoxy)-1,1-cyclobutanedicarboxylic acid, diethyl ester, 1,1-Cyclobutanedicarboxylicacid, 3-(phenylmethoxy)-, 1,1-diethyl ester,

Complexity	361
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.147g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	306.358g/mol
Monoisotopic Mass	306.147g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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