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108-97-4 | 4H-Pyran-4-one
CAS No: 108-97-4 Catalog No: AG003LH5 MDL No:MFCD00006576
Product Description
Catalog Number:
AG003LH5
Chemical Name:
4H-Pyran-4-one
CAS Number:
108-97-4
Molecular Formula:
C5H4O2
Molecular Weight:
96.0841
MDL Number:
MFCD00006576
IUPAC Name:
pyran-4-one
InChI:
InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H
InChI Key:
CVQUWLDCFXOXEN-UHFFFAOYSA-N
SMILES:
O=c1ccocc1
EC Number:
203-634-8
UNII:
UJ7X07IM7Z
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.021g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.085g/mol
Monoisotopic Mass:
96.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
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