Home Carboxys 3,6-dihydro-2H-pyran-2-carboxylic acid

3,6-dihydro-2H-pyran-2-carboxylic acid

CAS No.:
116233-54-6
Catalog Number:
AG01BHU1
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
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Product Description
Catalog Number:
AG01BHU1
Chemical Name:
3,6-dihydro-2H-pyran-2-carboxylic acid
CAS Number:
116233-54-6
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD19228699
IUPAC Name:
3,6-dihydro-2H-pyran-2-carboxylic acid
InChI:
InChI=1S/C6H8O3/c7-6(8)5-3-1-2-4-9-5/h1-2,5H,3-4H2,(H,7,8)
InChI Key:
OWRKSSDYRPRYGL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC=CCO1
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties