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1194-16-7

1194-16-7 | 4H-Pyran-4-one, tetrahydro-2,2-dimethyl-

CAS No: 1194-16-7 Catalog No: AG000IOX MDL No:MFCD01549337

Product Description

Catalog Number:
AG000IOX
Chemical Name:
4H-Pyran-4-one, tetrahydro-2,2-dimethyl-
CAS Number:
1194-16-7
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD01549337
IUPAC Name:
2,2-dimethyloxan-4-one
InChI:
InChI=1S/C7H12O2/c1-7(2)5-6(8)3-4-9-7/h3-5H2,1-2H3
InChI Key:
BWMNOXJVRHGUQM-UHFFFAOYSA-N
SMILES:
O=C1CCOC(C1)(C)C

Properties

Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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