Home Other Building Blocks methyl 3-oxo-3-(oxolan-3-yl)propanoate

methyl 3-oxo-3-(oxolan-3-yl)propanoate

CAS No.:
1361235-92-8
Catalog Number:
AG01DYOX
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Product Description
Catalog Number:
AG01DYOX
Chemical Name:
methyl 3-oxo-3-(oxolan-3-yl)propanoate
CAS Number:
1361235-92-8
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD24713157
IUPAC Name:
methyl 3-oxo-3-(oxolan-3-yl)propanoate
InChI:
InChI=1S/C8H12O4/c1-11-8(10)4-7(9)6-2-3-12-5-6/h6H,2-5H2,1H3
InChI Key:
NJNVMXDCLJJRHB-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C1COCC1
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties