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27828-85-9 | 2H-Pyran-4-ol
CAS No: 27828-85-9 Catalog No: AG002UVB MDL No:
Product Description
Catalog Number:
AG002UVB
Chemical Name:
2H-Pyran-4-ol
CAS Number:
27828-85-9
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
IUPAC Name:
2H-pyran-4-ol
InChI:
InChI=1S/C5H6O2/c6-5-1-3-7-4-2-5/h1-3,6H,4H2
InChI Key:
JIDPHLLCKDISON-UHFFFAOYSA-N
SMILES:
OC1=CCOC=C1
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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