4-methoxy-3,3-dimethyl-4-oxobutanoic acid


Chemical Name: 4-methoxy-3,3-dimethyl-4-oxobutanoic acid
CAS Number: 32980-26-0
Product Number: AG003LMP(AGN-PC-003GYT)
Synonyms:
MDL No: MFCD11617811
Molecular Formula: C7H12O4
Molecular Weight: 160.1678

Identification/Properties


Properties
BP:
256.155 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
160.169g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
160.074g/mol
Monoisotopic Mass:
160.074g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
171
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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