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119124-53-7 | 4H-Pyran-4-one, tetrahydro-3-methyl-
CAS No: 119124-53-7 Catalog No: AG000I8Q MDL No:MFCD13193744
Product Description
Catalog Number:
AG000I8Q
Chemical Name:
4H-Pyran-4-one, tetrahydro-3-methyl-
CAS Number:
119124-53-7
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD13193744
IUPAC Name:
3-methyloxan-4-one
InChI:
InChI=1S/C6H10O2/c1-5-4-8-3-2-6(5)7/h5H,2-4H2,1H3
InChI Key:
PGPWMORFOPRGCA-UHFFFAOYSA-N
SMILES:
O=C1CCOCC1C
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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