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82110-21-2 | 4H-Pyran-4-one, tetrahydro-2-methyl-, (S)-
CAS No: 82110-21-2 Catalog No: AG004WGF MDL No:MFCD15071429
Product Description
Catalog Number:
AG004WGF
Chemical Name:
4H-Pyran-4-one, tetrahydro-2-methyl-, (S)-
CAS Number:
82110-21-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD15071429
IUPAC Name:
(2S)-2-methyloxan-4-one
InChI:
InChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3/t5-/m0/s1
InChI Key:
MQOPUXINXNVMKJ-YFKPBYRVSA-N
SMILES:
O=C1CCO[C@H](C1)C
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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