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5337-03-1 | Tetrahydro-2H-Pyran-4-Carboxylic Acid
CAS No: 5337-03-1 Catalog No: AG0035O6 MDL No:MFCD00031016
Product Description
Catalog Number:
AG0035O6
Chemical Name:
Tetrahydro-2H-Pyran-4-Carboxylic Acid
CAS Number:
5337-03-1
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD00031016
IUPAC Name:
oxane-4-carboxylic acid
InChI:
InChI=1S/C6H10O3/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8)
InChI Key:
AVPKHOTUOHDTLW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCOCC1
NSC Number:
403
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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