4H-Pyran-4-one, 3-methoxy-2-methyl-


Chemical Name: 4H-Pyran-4-one, 3-methoxy-2-methyl-
CAS Number: 4780-14-7
Product Number: AG00DK47(AGN-PC-03FZ6O)
Synonyms:
MDL No:
Molecular Formula: C7H8O3
Molecular Weight: 140.1366

Identification/Properties


Computed Properties
Molecular Weight:
140.138g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
140.047g/mol
Monoisotopic Mass:
140.047g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
213
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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