Home Other Building Blocks 3,5-dimethyl-3,4-dihydro-2H-pyran-4-one

3,5-dimethyl-3,4-dihydro-2H-pyran-4-one

CAS No.:
36019-62-2
Catalog Number:
AG01B4XG
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG01B4XG
Chemical Name:
3,5-dimethyl-3,4-dihydro-2H-pyran-4-one
CAS Number:
36019-62-2
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD24690684
IUPAC Name:
3,5-dimethyl-2,3-dihydropyran-4-one
InChI:
InChI=1S/C7H10O2/c1-5-3-9-4-6(2)7(5)8/h3,6H,4H2,1-2H3
InChI Key:
LXYQBTWDDNQNMX-UHFFFAOYSA-N
SMILES:
CC1COC=C(C1=O)C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties