Home Carboxys ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate

ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate

CAS No.:
1803608-60-7
Catalog Number:
AG01ALAV
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
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Product Description
Catalog Number:
AG01ALAV
Chemical Name:
ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate
CAS Number:
1803608-60-7
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD26131224
IUPAC Name:
ethyl 5,5-dimethyl-4-oxooxolane-3-carboxylate
InChI:
InChI=1S/C9H14O4/c1-4-12-8(11)6-5-13-9(2,3)7(6)10/h6H,4-5H2,1-3H3
InChI Key:
VPVPKYZTNBWITG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1COC(C1=O)(C)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties