4-Pentenoic acid, 2,2-dimethyl-


Chemical Name: 4-Pentenoic acid, 2,2-dimethyl-
CAS Number: 16386-93-9
Product Number: AG001UG5(AGN-PC-0JMR3Q)
Synonyms:
MDL No:
Molecular Formula: C7H12O2
Molecular Weight: 128.1690

Identification/Properties


Computed Properties
Molecular Weight:
128.171g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
128.084g/mol
Monoisotopic Mass:
128.084g/mol
Topological Polar Surface Area:
37.3A^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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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