Home Carboxys methyl 2-oxo-8-oxabicyclo[3.2.1]octane-3-carboxylate

methyl 2-oxo-8-oxabicyclo[3.2.1]octane-3-carboxylate

CAS No.:
1213781-12-4
Catalog Number:
AG01C565
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
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Product Description
Catalog Number:
AG01C565
Chemical Name:
methyl 2-oxo-8-oxabicyclo[3.2.1]octane-3-carboxylate
CAS Number:
1213781-12-4
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD29763312
IUPAC Name:
methyl 2-oxo-8-oxabicyclo[3.2.1]octane-3-carboxylate
InChI:
InChI=1S/C9H12O4/c1-12-9(11)6-4-5-2-3-7(13-5)8(6)10/h5-7H,2-4H2,1H3
InChI Key:
JAFRAPBKRIPHRY-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2CCC(C1=O)O2
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties