Home Other Building Blocks 2,2-dimethyloxan-3-one

2,2-dimethyloxan-3-one

CAS No.:
1194800-59-3
Catalog Number:
AG01BXPZ
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG01BXPZ
Chemical Name:
2,2-dimethyloxan-3-one
CAS Number:
1194800-59-3
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD24696169
IUPAC Name:
2,2-dimethyloxan-3-one
InChI:
InChI=1S/C7H12O2/c1-7(2)6(8)4-3-5-9-7/h3-5H2,1-2H3
InChI Key:
RQVAYGSSHKKLQV-UHFFFAOYSA-N
SMILES:
O=C1CCCOC1(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:
0.6  
Properties