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126202-22-0 | 2H-Pyran-3-carboxylic acid, tetrahydro-4-oxo-
CAS No: 126202-22-0 Catalog No: AG000SD6 MDL No:MFCD29919968
Product Description
Catalog Number:
AG000SD6
Chemical Name:
2H-Pyran-3-carboxylic acid, tetrahydro-4-oxo-
CAS Number:
126202-22-0
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
MDL Number:
MFCD29919968
IUPAC Name:
4-oxooxane-3-carboxylic acid
InChI:
InChI=1S/C6H8O4/c7-5-1-2-10-3-4(5)6(8)9/h4H,1-3H2,(H,8,9)
InChI Key:
PXHSAHGKYUDEKJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1COCCC1=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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