AG003VO6

99974-66-0 | diethyl 3-hydroxycyclobutane-1,1-dicarboxylate

AG003VO6

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CAS Number	99974-66-0
Catalog Number	AG003VO6(AGN-PC-002D0Z)
Chemical Name	diethyl 3-hydroxycyclobutane-1,1-dicarboxylate
IUPAC Name	diethyl 3-hydroxycyclobutane-1,1-dicarboxylate
InChI	InChI=1S/C10H16O5/c1-3-14-8(12)10(5-7(11)6-10)9(13)15-4-2/h7,11H,3-6H2,1-2H3
InChI Key	HCVGFHCQRXXAGH-UHFFFAOYSA-N
MDL Number	MFCD11878435
Molecular Formula	C10H16O5
Molecular Weight	216.2310
SMILES	O=C(C1(C(OCC)=O)CC(O)C1)OCC
Synonyms	Diethyl 3-hydroxycyclobutane-1,1-dicarboxylate, 99974-66-0, AK-38011, 1,1-Cyclobutanedicarboxylic acid, 3-hydroxy-, diethyl ester, ACMC-209xih, SCHEMBL1962459, CTK3G7230, KS-00000PJP, DTXSID50563392, HCVGFHCQRXXAGH-UHFFFAOYSA-N, ANW-47703, MFCD11878435, ZINC34353152, AKOS015150335, CD-1841, AJ-88104, BR-38011, DS-13138, AX8223645, TC-136448, 4CH-011228, FT-0688711, ST24024730, W9889, diethyl 3-hydroxy-1,1-cyclobutanedicarboxylate, S-5080, 1,1-diethyl 3-hydroxycyclobutane-1,1-dicarboxylate, 3-hydroxycyclobutane-1,1-dicarboxylic acid diethyl ester, 3-Hydroxy-cyclobutane-1,1-dicarboxylic acid diethyl ester, 1,1-Cyclobutanedicarboxylic acid,3-hydroxy-,1,1-diethyl ester, C10H16O5, Diethyl3-hydroxycyclobutane-1,1-dicarboxylate,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.1g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.233g/mol
Monoisotopic Mass	216.1g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 1993

Certificate of Analysis

Lot Number