AG00IE97

869109-31-9 | Diisopropyl 3-hydroxycyclobutane-1,1-dicarboxylate

AG00IE97

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CAS Number	869109-31-9
Catalog Number	AG00IE97(AGN-PC-0WBS3D)
Chemical Name	Diisopropyl 3-hydroxycyclobutane-1,1-dicarboxylate
IUPAC Name	dipropan-2-yl 3-hydroxycyclobutane-1,1-dicarboxylate
InChI	InChI=1S/C12H20O5/c1-7(2)16-10(14)12(5-9(13)6-12)11(15)17-8(3)4/h7-9,13H,5-6H2,1-4H3
InChI Key	KGJGEGCBWIXNRP-UHFFFAOYSA-N
MDL Number	MFCD11869277
Molecular Formula	C12H20O5
Molecular Weight	244.2842
SMILES	O=C(C1(C(OC(C)C)=O)CC(O)C1)OC(C)C
Synonyms	869109-31-9, diisopropyl 3-hydroxycyclobutane-1,1-dicarboxylate, 1,1-bis(propan-2-yl) 3-hydroxycyclobutane-1,1-dicarboxylate, dipropan-2-yl 3-hydroxycyclobutane-1,1-dicarboxylate, SCHEMBL4317544, AMCB00082, KGJGEGCBWIXNRP-UHFFFAOYSA-N, MFCD11869277, ZINC95644261, AKOS025290140, AM85934, PB35987, SB20202, KS-0000070X, AK172259, AS-34482, OR317104, CS-0045551, Diisopropyl 3-hydroxycyclobutane-1,1-dicarboxylate, AldrichCPR, 3-HYDROXY-CYCLOBUTANE-1,1-DICARBOXYLIC ACID DIISOPROPYL ESTER,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.287g/mol
Monoisotopic Mass	244.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

Lot Number