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

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

CAS No.:
625099-32-3
Catalog Number:
AG01B5JM
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
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Product Description
Catalog Number:
AG01B5JM
Chemical Name:
3,3-dimethyl-3,4-dihydro-2H-pyran-4-one
CAS Number:
625099-32-3
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD23703033
IUPAC Name:
3,3-dimethyl-2H-pyran-4-one
InChI:
InChI=1S/C7H10O2/c1-7(2)5-9-4-3-6(7)8/h3-4H,5H2,1-2H3
InChI Key:
BGGDKAQMCPVWJR-UHFFFAOYSA-N
SMILES:
O=C1C=COCC1(C)C
Properties
Complexity:
156  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties