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1193-20-0

1193-20-0 | 4H-Pyran-4-one, tetrahydro-2-methyl-

CAS No: 1193-20-0 Catalog No: AG000IJC MDL No:MFCD15071428

Product Description

Catalog Number:
AG000IJC
Chemical Name:
4H-Pyran-4-one, tetrahydro-2-methyl-
CAS Number:
1193-20-0
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD15071428
IUPAC Name:
2-methyloxan-4-one
InChI:
InChI=1S/C6H10O2/c1-5-4-6(7)2-3-8-5/h5H,2-4H2,1H3
InChI Key:
MQOPUXINXNVMKJ-UHFFFAOYSA-N
SMILES:
O=C1CCOC(C1)C

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

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