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127956-11-0 | Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate
CAS No: 127956-11-0 Catalog No: AG000XL3 MDL No:MFCD20921984
Product Description
Catalog Number:
AG000XL3
Chemical Name:
Methyl 4-oxotetrahydro-2H-pyran-3-carboxylate
CAS Number:
127956-11-0
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD20921984
IUPAC Name:
methyl 4-oxooxane-3-carboxylate
InChI:
InChI=1S/C7H10O4/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3
InChI Key:
SOWMVLQIMWETEK-UHFFFAOYSA-N
SMILES:
COC(=O)C1COCCC1=O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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