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110238-91-0 | Methyl tetrahydro-2H-pyran-4-carboxylate
CAS No: 110238-91-0 Catalog No: AG003S2O MDL No:MFCD01075170
Product Description
Catalog Number:
AG003S2O
Chemical Name:
Methyl tetrahydro-2H-pyran-4-carboxylate
CAS Number:
110238-91-0
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD01075170
IUPAC Name:
methyl oxane-4-carboxylate
InChI:
InChI=1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChI Key:
CNCMVGXVKBJYNU-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCOCC1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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