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3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate

CAT: 0127-OR1030664-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1030664-01Size:100 mL
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CAS Number
2386-87-0
Synonyms
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
Purity
98%
Smiles
C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4

Chemical Information

UT-632
CAS Number2386-87-0
PubChem CID16949
IUPAC Name7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
Molecular FormulaC14H20O4
Molecular Weight252.31
XLogP1.5
Topological Polar Surface Area51.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity356
SMILES
C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4
InChI
InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2
InChIKey
YXALYBMHAYZKAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of UT-632
CAS: 2386-87-0
CID: 16949
Formula: C14H20O4
MW: 252.31
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.31
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass252.13615911
Monoisotopic Mass252.13615911
Topological Polar Surface Area51.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-495837A3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate
FE160694-013,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
TRC-E585920-10G3,4-Epoxycyclohexylmethyl 3,4-Epoxycyclohexaneca
TRC-E585930-1G3,4-Epoxycyclohexanecarboxylate Methyl Ester
24738-100ERL-4221 (3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate)
FA172437-01Bis- (3,4-Epoxycyclohexylmethyl) adipate
B810001Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
HY-W009390S-01DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
sc-480128ADL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8
TRC-H591292-250MGDL-Homocystine-3,3,3',3',4,4,4',4'-d8

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