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856414-68-1 | Ethyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl);propanoate
CAS No: 856414-68-1 Catalog No: AG003Q8F MDL No:MFCD04115573
Product Description
Catalog Number:
AG003Q8F
Chemical Name:
Ethyl 3-oxo-3-(tetrahydro-2H-pyran-4-yl);propanoate
CAS Number:
856414-68-1
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
MDL Number:
MFCD04115573
IUPAC Name:
ethyl 3-(oxan-4-yl)-3-oxopropanoate
InChI:
InChI=1S/C10H16O4/c1-2-14-10(12)7-9(11)8-3-5-13-6-4-8/h8H,2-7H2,1H3
InChI Key:
HJFKRDIPKNVADD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C1CCOCC1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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