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137053-71-5 | 4H-Pyran-4-one, 2,3-dihydro-2-(hydroxymethyl)-
CAS No: 137053-71-5 Catalog No: AG0012RG MDL No:
Product Description
Catalog Number:
AG0012RG
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-2-(hydroxymethyl)-
CAS Number:
137053-71-5
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
IUPAC Name:
2-(hydroxymethyl)-2,3-dihydropyran-4-one
InChI:
InChI=1S/C6H8O3/c7-4-6-3-5(8)1-2-9-6/h1-2,6-7H,3-4H2
InChI Key:
NFQIQXRCQZETNX-UHFFFAOYSA-N
SMILES:
OCC1CC(=O)C=CO1
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:
-0.7
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