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887411-85-0 | Ethyl 3-oxo-3-(tetrahydrofuran-2-yl);propanoate
CAS No: 887411-85-0 Catalog No: AG003Q8E MDL No:MFCD06410652
Product Description
Catalog Number:
AG003Q8E
Chemical Name:
Ethyl 3-oxo-3-(tetrahydrofuran-2-yl);propanoate
CAS Number:
887411-85-0
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
MDL Number:
MFCD06410652
IUPAC Name:
ethyl 3-oxo-3-(oxolan-2-yl)propanoate
InChI:
InChI=1S/C9H14O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h8H,2-6H2,1H3
InChI Key:
DVSIOGDCWXTPTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C1CCCO1
Properties
Complexity:
200
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:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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