Pentanal, 2,2-dimethyl-3-oxo-


Chemical Name: Pentanal, 2,2-dimethyl-3-oxo-
CAS Number: 106921-60-2
Product Number: AG0032X0(AGN-PC-0NEWDE)
Synonyms:
MDL No: MFCD11846616
Molecular Formula: C7H12O2
Molecular Weight: 128.1690

Identification/Properties


Properties
BP:
165.4±23.0°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Computed Properties
Molecular Weight:
128.171g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
128.084g/mol
Monoisotopic Mass:
128.084g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
125
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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