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84355-44-2 | Methyl tetrahydro-2H-pyran-2-carboxylate
CAS No: 84355-44-2 Catalog No: AG003596 MDL No:MFCD12198853
Product Description
Catalog Number:
AG003596
Chemical Name:
Methyl tetrahydro-2H-pyran-2-carboxylate
CAS Number:
84355-44-2
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD12198853
IUPAC Name:
methyl oxane-2-carboxylate
InChI:
InChI=1S/C7H12O3/c1-9-7(8)6-4-2-3-5-10-6/h6H,2-5H2,1H3
InChI Key:
MHZRCUVVJMWSMP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCO1
Properties
Complexity:
122
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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